Results for:
chemical Classification: carbamides

1,1-dimethylurea

Compound Details

Synonymous names
1,1-DIMETHYLUREA
598-94-7
N,N-Dimethylurea
Urea, N,N-dimethyl-
asym-Dimethylurea
Urea, 1,1-dimethyl-
1320-50-9
1,1-DIMETHYL-D6-UREA
1.1-Dimethylurea
MFCD00007959
NSC-33603
I988R763P3
1,1-Dimethyl urea
N,N-Dimethylharnstoff
N,N-Dimethylharnstoff [German]
HSDB 4273
EINECS 209-957-0
NSC 33603
BRN 1740666
AI3-61297
UNII-I988R763P3
N,N-dimethyl urea
EINECS 215-303-5
1,1-dimethyl-urea
DIMETHYLUREA, N,N-
1,1-Dimethylurea, 99%
(CH3)2NCONH2
DTXSID0060515
1,1-DIMETHYLUREA [HSDB]
NSC33603
STR03134
STL482999
AKOS000200400
SY048169
DB-053491
CS-0132397
D0809
NS00021239
EN300-17007
D-5580
D89723
A832531
Q24712449
InChI=1/C3H8N2O/c1-5(2)3(4)6/h1-2H3,(H2,4,6
Microorganism:

Yes

IUPAC name1,1-dimethylurea
SMILESCN(C)C(=O)N
InchiInChI=1S/C3H8N2O/c1-5(2)3(4)6/h1-2H3,(H2,4,6)
FormulaC3H8N2O
PubChem ID11737
Molweight88.11
LogP-0.8
Atoms6
Bonds0
H-bond Acceptor1
H-bond Donor1
Chemical Classificationcarbamides nitrogen compounds

mVOC Specific Details


Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
EukaryotaSaccharomyces CerevisiaeNANAHarris et al. 2021
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
EukaryotaSaccharomyces Cerevisiaemalt extract brothHS-SPME with GC-MSno


Hydroxyurea

Compound Details

Synonymous names
hydroxyurea
127-07-1
Hydroxycarbamide
N-Hydroxyurea
Hydrea
1-HYDROXYUREA
Oxyurea
Carbamoyl oxime
Biosupressin
Urea, hydroxy-
Carbamohydroxamic acid
Carbamohydroximic acid
Droxia
Litalir
Hydroxycarbamine
Onco-carbide
Carbamyl hydroxamate
Hydurea
N-Carbamoylhydroxylamine
Hidrix
Hydura
Siklos
Hydroxicarbamidum
Hydroxylurea
Hydreia
Litaler
urea, N-hydroxy-
Idrossicarbamide [DCIT]
Hidroxicarbamida
hydroxy urea
Hydroxyharnstoff
SQ 1089
Hydroxycarbamidum
Carbamohydroxyamic acid
N-Hydroxymocovina
Hydroxylamine, N-carbamoyl-
Hydroxyharnstoff [German]
N-Hydroxymocovina [Czech]
NCI-C04831
Hydroxylamine, N-(aminocarbonyl)-
SK 22591
Hydroxycarbamidum [INN-Latin]
Hidroxicarbamida [INN-Spanish]
HU
CCRIS 958
HYDROXY-UREA
NSC 32065
NSC32065
MFCD00007943
NSC-32065
N-(Aminocarbonyl)hydroxylamine
SQ-1089
8029-68-3
AI3-51139
Ammonium ichthosulfonate
Hydroxyurea (Cytodrox)
Hydroxycarbamide [INN]
CHEMBL467
X6Q56QN5QC
DTXSID6025438
CHEBI:44423
NCGC00015520-03
Hydroxycarbamid
Oncocarbide
Idrossicarbamide
NHY
Hydroxyurea (D4)
DTXCID405438
N-HYDROXY UREA
Mylocel
carbamide oxide
Xromi
CAS-127-07-1
SMR000059149
Hydroxyurea (USP)
Droxia (TM)
Droxia (TN)
Hydrea (TM)
hydroxyaminomethanamide
HSDB 6887
SR-01000075919
DRG-0253
EINECS 204-821-7
HYDREA (TN)
Hydroxyurea [USAN:USP]
UNII-X6Q56QN5QC
BRN 1741548
Hydroxycarbamide (JAN/INN)
hydroxyl urea
n-hydroxy-urea
S-phase/G-1 interface inhibitor
aminohydroxamic acid
carbamic acid oxime
Spectrum_000909
WLN: ZVMQ
Hydrea (Bristol Meyers)
HYDROXYUREA [MI]
Spectrum2_000064
Spectrum3_000462
Spectrum4_000012
Spectrum5_000836
Lopac-H-8627
HYDROXYUREA [HSDB]
HYDROXYUREA [IARC]
HYDROXYUREA [USAN]
MolMap_000029
H 8627
HYDROXYUREA [VANDF]
NCIMech_000139
Hydroxyurea, 98%, powder
Lopac0_000596
BSPBio_002164
HYDROXYUREA [USP-RS]
KBioGR_000383
KBioSS_001389
4-03-00-00170 (Beilstein Handbook Reference)
MLS001332381
MLS001332382
MLS002153389
DivK1c_000556
HYDROXYCARBAMIDE [JAN]
SPECTRUM1500344
SPBio_000247
GTPL6822
HYDROXYCARBAMIDE [MART.]
tetratogen: inhibits ribonucleoside diphosphate reductase
HMS501L18
KBio1_000556
KBio2_001389
KBio2_003957
KBio2_006525
KBio3_001384
HYDROXYCARBAMIDE [WHO-DD]
HYDROXYUREA [ORANGE BOOK]
NINDS_000556
Bio1_000451
Bio1_000940
Bio1_001429
HMS1920F09
HMS2091L17
HMS2234I03
HMS3261H14
HMS3373G18
HMS3655K20
HMS3869C03
NCI C04831
Pharmakon1600-01500344
HYDROXYCARBAMIDE [EMA EPAR]
HYDROXYUREA [USP MONOGRAPH]
AMY40858
HY-B0313
STR02555
Tox21_110168
Tox21_300319
Tox21_500596
BBL009928
BDBM50017811
CCG-35236
NSC757072
s1896
STL145898
AKOS005716276
AKOS006222547
Tox21_110168_1
DB01005
HYDROXYCARBAMIDE [EP MONOGRAPH]
LP00596
MCULE-9465284053
NSC-757072
SDCCGSBI-0050578.P006
IDI1_000556
NCGC00015520-01
NCGC00015520-02
NCGC00015520-04
NCGC00015520-05
NCGC00015520-06
NCGC00015520-07
NCGC00015520-08
NCGC00015520-09
NCGC00015520-10
NCGC00015520-11
NCGC00015520-20
NCGC00093974-01
NCGC00093974-02
NCGC00093974-03
NCGC00093974-04
NCGC00093974-05
NCGC00254007-01
NCGC00261281-01
AC-22674
NCI60_002773
SBI-0050578.P004
DB-041849
EU-0100596
H0310
NS00002419
SW218071-2
EN300-82775
C07044
D00341
Hydroxyurea, Vetec(TM) reagent grade, >=98%
AB00052018-09
AB00052018-10
AB00052018_11
AB00052018_12
A805636
Q212272
J-504798
SR-01000075919-1
SR-01000075919-3
SR-01000075919-8
E0723DBA-5AF3-49D1-B5F6-59420AB87AC9
F8880-0905
Z1203577934
Hydroxycarbamide, European Pharmacopoeia (EP) Reference Standard
Hydroxyurea, United States Pharmacopeia (USP) Reference Standard
Microorganism:

Yes

IUPAC namehydroxyurea
SMILESC(=O)(N)NO
InchiInChI=1S/CH4N2O2/c2-1(4)3-5/h5H,(H3,2,3,4)
FormulaCH4N2O2
PubChem ID3657
Molweight76.055
LogP-1.8
Atoms5
Bonds0
H-bond Acceptor2
H-bond Donor3
Chemical Classificationcarbamides nitrogen compounds
CHEBI-ID44423
Supernatural-IDSN0398904

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
ProkaryotaBacillus Velezensismaize seedMassawe et al. 2018
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaBacillus VelezensisMinimal salt mediumSPME, GC-MSno


5,5-diethyl-1,3-diazinane-2,4,6-trione

Compound Details

Synonymous names
barbital
Barbitone
Veronal
5,5-Diethylbarbituric acid
57-44-3
Ethylbarbital
Diemal
Diethylmalonylurea
DEBA
Vesperal
Malonal
Uronal
Diethylbarbitone
Dormonal
Hypnogene
Veroletten
Verolettin
Sedeval
Diethylbarbituric acid
2,4,6(1H,3H,5H)-Pyrimidinetrione, 5,5-diethyl-
5,5-Diethyl-2,4,6(1H,3H,5H)-pyrimidinetrione
Barbituric acid, 5,5-diethyl-
Kyselina 5,5-diethylbarbiturova
5,5-diethylpyrimidine-2,4,6(1H,3H,5H)-trione
diethylmalonyl urea
NSC 31352
CHEBI:31252
5,5-diethyl-1,3-diazinane-2,4,6-trione
NSC-31352
5WZ53ENE2P
Barbitonum
Diemalum
DTXSID5022643
Barbital (VAN)
Barbitale [DCIT]
NCGC00159419-02
NCGC00159419-04
Barbitale
Barbitalum
Barbitalum [INN-Latin]
DTXCID802643
Diethyl-barbituric acid
CAS-57-44-3
Barbital (TN)
CCRIS 7420
Kyselina 5,5-diethylbarbiturova [Czech]
EINECS 200-331-2
UNII-5WZ53ENE2P
BRN 0163999
AI3-02727
Barbital [INN:BAN:JAN:NF]
DEA No. 2145
BARBITAL [INN]
BARBITAL [JAN]
BARBITAL [MI]
BARBITAL [VANDF]
Barbital (JP17/INN)
BARBITAL [MART.]
BARBITAL [WHO-DD]
CHEMBL444
Epitope ID:117124
Barbituric acid,5-diethyl-
Oprea1_012884
Oprea1_497227
SCHEMBL43818
5-24-09-00137 (Beilstein Handbook Reference)
Barbital, 1mg/ml in Methanol
BARBITAL [EP IMPURITY]
BARBITAL [EP MONOGRAPH]
Barbital 0.1 mg/ml in Methanol
Barbital 1.0 mg/ml in Methanol
Pharmakon1600-01900040
WLN: T6VMVMV FHJ F2 F2
NSC31352
Tox21_111650
NSC759567
AKOS015903028
Barbital (1.0mg/ml in Acetonitrile)
Tox21_111650_1
Barbital, BioXtra, >=99.0% (T)
CCG-214014
DB01483
MCULE-2107172999
NSC-759567
5,5-Diethyl-pyrimidine-2,4,6-trione
NCGC00159419-03
SBI-0207064.P001
NS00003391
D01740
AB00443731_03
2,6(1H,3H,5H)-Pyrimidinetrione, 5,5-diethyl-
Q412409
SR-01000872752
SR-01000872752-1
W-105467
BRD-K83359602-001-01-5
Barbital, European Pharmacopoeia (EP) Reference Standard
InChI=1/C8H12N2O3/c1-3-8(4-2)5(11)9-7(13)10-6(8)12/h3-4H2,1-2H3,(H2,9,10,11,12,13
Microorganism:

Yes

IUPAC name5,5-diethyl-1,3-diazinane-2,4,6-trione
SMILESCCC1(C(=O)NC(=O)NC1=O)CC
InchiInChI=1S/C8H12N2O3/c1-3-8(4-2)5(11)9-7(13)10-6(8)12/h3-4H2,1-2H3,(H2,9,10,11,12,13)
FormulaC8H12N2O3
PubChem ID2294
Molweight184.19
LogP0.6
Atoms13
Bonds2
H-bond Acceptor3
H-bond Donor2
Chemical Classificationamines carbamides heterocyclic compounds nitrogen compounds
CHEBI-ID31252
Supernatural-IDSN0095177

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
EukaryotaZygosaccharomyces RouxiiNANAPei et al. 2022
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
EukaryotaZygosaccharomyces RouxiiYPD mediumGC-MSno


N-carbamoyl-2-chloroacetamide

Compound Details

Synonymous names
(2-chloro-acetyl)-urea
4791-21-3
Chloroacetylurea
N-carbamoyl-2-chloroacetamide
N-(Chloroacetyl)urea
(2-chloroacetyl)urea
Urea, (chloroacetyl)-
Acetamide, N-(aminocarbonyl)-2-chloro-
MFCD01676735
chloroacetyl-ure
Urea, chloroacetyl-
NSC 32857
BRN 1758638
chloracetylurea
chloroacetyl urea
chloroacetyl-urea
Chloracetylharnstoff
NSC32857
(2-Chloroacetyl)-urea
WLN: ZVMV1G
Urea, (2-chloroacetyl)-
Acetamide, N-(aminocarbonyl)-2-chloro- (9CI)
SCHEMBL19534
DTXSID10197339
NSC-32857
AKOS002255440
MCULE-6047100495
BS-28610
EN300-02061
G29164
J-500706
Z56851244
F2179-0006
Microorganism:

Yes

IUPAC nameN-carbamoyl-2-chloroacetamide
SMILESC(C(=O)NC(=O)N)Cl
InchiInChI=1S/C3H5ClN2O2/c4-1-2(7)6-3(5)8/h1H2,(H3,5,6,7,8)
FormulaC3H5ClN2O2
PubChem ID78516
Molweight136.54
LogP-0.1
Atoms8
Bonds1
H-bond Acceptor2
H-bond Donor2
Chemical Classificationcarbamides amides nitrogen compounds chlorides halogenated compounds

mVOC Specific Details


Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
EukaryotaSaccharomyces CerevisiaeNANAHarris et al. 2021
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
EukaryotaSaccharomyces Cerevisiaemalt extract brothHS-SPME with GC-MSno


S-(3,5-dioxo-2H-1,2,4-triazin-6-yl) Benzenecarbothioate

Compound Details

Synonymous names
MLS002706792
S-(3,5-Dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl) benzenecarbothioate
NSC118349
CHEMBL1719648
DTXSID40946993
NADNGNYULOPOGE-UHFFFAOYSA-N
STK970951
AKOS002346542
MCULE-4760471751
NSC-118349
SMR001574191
AB00682022-01
1,2,4-Triazine-3,5(2H,4H)-dione, 6-benzoylthio-
S-(3,5-Dihydroxy-1,2,4-triazin-6-yl) benzenecarbothioate
S-(3,5-Dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl) benzenecarbothioate #
Microorganism:

Yes

IUPAC nameS-(3,5-dioxo-2H-1,2,4-triazin-6-yl) benzenecarbothioate
SMILESC1=CC=C(C=C1)C(=O)SC2=NNC(=O)NC2=O
InchiInChI=1S/C10H7N3O3S/c14-7-8(12-13-10(16)11-7)17-9(15)6-4-2-1-3-5-6/h1-5H,(H2,11,13,14,16)
FormulaC10H7N3O3S
PubChem ID273249
Molweight249.25
LogP1.5
Atoms17
Bonds3
H-bond Acceptor5
H-bond Donor2
Chemical Classificationsulfur compounds carbamides nitrogen compounds sulfides amides azines thioethers

mVOC Specific Details


Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
EukaryotaSaccharomyces CerevisiaeNANAHarris et al. 2021
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
EukaryotaSaccharomyces Cerevisiaemalt extract brothHS-SPME with GC-MSno


6-nitro-1H-quinazoline-2,4-dione

Compound Details

Synonymous names
32618-85-2
2,4-Dihydroxy-6-nitroquinazoline
6-nitroquinazoline-2,4-diol
6-Nitro-1H-quinazoline-2,4-dione
6-nitroquinazoline-2,4(1H,3H)-dione
2,4(1H,3H)-Quinazolinedione, 6-nitro-
CHEMBL3914224
MFCD07437915
6-Nitrobenzoyleneurea
6-nitro-1,3-dihydroquinazoline-2,4-dione
SCHEMBL3025195
TWJZVXRMXVNSIE-UHFFFAOYSA-
DTXSID20355721
BCP21039
CS-D0571
BDBM50207545
STL432929
STL507399
AKOS000266271
AKOS016012995
AB05985
AC-5759
DS-5071
MCULE-4122790772
6-nitroquinazoline-2,4 (1H,3H)-dione
AM806717
BP-20257
SY046074
DB-081094
6-NITRO-2,4(1H,3H)-QUINAZOLINEDIONE
A18638
F14747
I12004
SR-01000323049
SR-01000323049-1
6-Nitroquinazoline-2,4-diol;6-Nitro-1H-quinazoline-2,4-dione
InChI=1/C8H5N3O4/c12-7-5-3-4(11(14)15)1-2-6(5)9-8(13)10-7/h1-3H,(H2,9,10,12,13)
Microorganism:

Yes

IUPAC name6-nitro-1H-quinazoline-2,4-dione
SMILESC1=CC2=C(C=C1[N+](=O)[O-])C(=O)NC(=O)N2
InchiInChI=1S/C8H5N3O4/c12-7-5-3-4(11(14)15)1-2-6(5)9-8(13)10-7/h1-3H,(H2,9,10,12,13)
FormulaC8H5N3O4
PubChem ID816982
Molweight207.14
LogP0.6
Atoms15
Bonds0
H-bond Acceptor4
H-bond Donor2
Chemical Classificationquinazolines heterocyclic compounds benzenoids nitrogen compounds aromatic compounds carbamides nitro compounds

mVOC Specific Details


Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
EukaryotaSaccharomyces CerevisiaeNANAHarris et al. 2021
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
EukaryotaSaccharomyces Cerevisiaemalt extract brothHS-SPME with GC-MSno