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(Q72502637)
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English
17b-(tert-Butylcarbamoyl)-4-aza-5a-androsten-3-one
chemical compound
(17beta)-N-(1,1-Dimethylethyl)-3-oxo-4-azaandrost-5-ene-17-carboxamide
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
0 references
mass
358.26202832799993
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₃H₃₆N₂O₂
0 references
canonical SMILES
CC(C)(C)N=C(O)C1CCC2C1CCC1C2CCC2N=C(O)C=CC21C
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
CC(C)(C)NC(=O)[C@H]1CC[C@@H]2C1CC[C@H]1[C@H]2CC[C@H]2NC(=O)C=C[C@@]21C
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C22H34N2O2/c1-21(2,3)24-20(26)16-6-5-13-14(16)7-9-17-15(13)8-10-18-22(17,4)12-11-19(25)23-18/h11-18H,5-10H2,1-4H3,(H,23,25)(H,24,26)/t13-,14?,15+,16+,17+,18-,22-/m1/s1
0 references
InChIKey
BIPCVLBBDHLXSX-XDLZGBJCSA-N
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CAS Registry Number
166896-74-8
0 references
PubChem CID
53486264
1 reference
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
UniChem compound ID
54592356
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID20704876
0 references
DSSTOX compound identifier
DTXCID90655624
0 references
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