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English
N-tert-Butyl-3-cyanoandrosta-3,5-diene-17-carboximidic acid
group of stereoisomers with the chemical formula C₂₅H₃₆N₂O
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
0 references
mass
380.28276377199995
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₅H₃₆N₂O
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
CC(C)(C)N=C(O)C1CCC2C3CC=C4C=C(C#N)CCC4(C)C3CCC12C
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
CC(C)(C)NC(=O)C1CC[C@H]2[C@@H]3CC=C4C=C(C#N)CC[C@]4(C)[C@H]3CC[C@]12C
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C25H36N2O/c1-23(2,3)27-22(28)21-9-8-19-18-7-6-17-14-16(15-26)10-12-24(17,4)20(18)11-13-25(19,21)5/h6,14,18-21H,7-13H2,1-5H3,(H,27,28)/t18-,19-,20-,21?,24-,25-/m0/s1
0 references
InChIKey
SWSAVZHOUMPGCF-QSGXHMOMSA-N
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CAS Registry Number
151338-11-3
0 references
PubChem CID
57348734
1 reference
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
UniChem compound ID
54585655
1 reference
stated in
UniChem
ZVG number
901596
1 reference
stated in
GESTIS database
quotation
CAS no.: 151338-11-3
(English)
title
3-Cyano-N-(1,1-dimethylethyl)androsta-3,5-dien-17-beta-carboxamid
(German)
retrieved
1 November 2022
DSSTox substance ID
DTXSID80934238
0 references
DSSTOX compound identifier
DTXCID401362891
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HCIS ID
1089
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