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(Q63088173)
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English
(EZ)-dacarbazine
pair of cis/trans isomers
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No label defined
No description defined
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Statements
instance of
group of stereoisomers
0 references
subclass of
imidazole
0 references
mass
182.09160894
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₆H₁₀N₆O
0 references
canonical SMILES
CN(C)N=NC1=C(NC=N1)C(=O)N
0 references
Identifiers
InChI
InChI=1S/C6H10N6O/c1-12(2)11-10-6-4(5(7)13)8-3-9-6/h3H,1-2H3,(H2,7,13)(H,8,9)
0 references
InChIKey
FDKXTQMXEQVLRF-UHFFFAOYSA-N
1 reference
stated in
ChEBI release 2020-09-01
CAS Registry Number
4342-03-4
1 reference
InChIKey
FDKXTQMXEQVLRF-UHFFFAOYSA-N
stated in
CAS Common Chemistry
retrieved
8 April 2021
reference URL
https://commonchemistry.cas.org/detail?cas_rn=4342-03-4
PubChem CID
2942
1 reference
matched by identifier from
InChIKey
InChIKey
FDKXTQMXEQVLRF-UHFFFAOYSA-N
ChEBI ID
4305
mapping relation type
exact match
2 references
stated in
ChEBI release 2019-10-02
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C6H10N6O/c1-12(2)11-10-6-4(5(7)13)8-3-9-6/h3H,1-2H3,(H2,7,13)(H,8,9)
UniChem compound ID
924117
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID0020369
2 references
stated in
Mapping file of InChIStrings, InChIKeys and DTXSIDs for the EPA CompTox Dashboard
matched by identifier from
InChIKey
InChIKey
FDKXTQMXEQVLRF-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID20369
0 references
NSC number
45388
0 references
759610
0 references
Human Metabolome Database ID
HMDB0014989
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
FDKXTQMXEQVLRF-UHFFFAOYSA-N
Probes And Drugs ID
PD009688
0 references
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