4-Methyl-4-azacholestane
Basic information
- CAS
1867-76-1- Standard SMILES
CC(C)CCC[C@@H](C)C1CC[C@]2(C)[C@H]3CC[C@@]4(C)CCC[C@H]4[C@@H]3CC[C@H]2N1C- InChIKey
ZBHJPJSJUPTGSI-DLIDQQGSSA-N- Molecular formula
- C27H49N
- Average molar mass
- 387.7 g/mol
- Monoisotopic mass
- 387.38650057
Overview
competitively inhibits ACTH-induced steroidogenesis; inhibits ACTH-activated membrane adenylate cyclase; does not interfere with binding of ACTH to adrenal membrane receptors; RN given refers to (5alpha)-isomer
Names & identifiers
- Preferred name
- 4-Methyl-4-azacholestane
- IUPAC
- (3aS,3bS,5aR,9aR,9bS,11aR)-6,9a,11a-trimethyl-7-[(2R)-6-methylheptan-2-yl]-1,2,3,3a,3b,4,5,5a,7,8,9,9b,10,11-tetradecahydroindeno[5,4-f]quinoline
Names & synonyms
4-Methyl-4-azacholestane4-Azacholestane, 4-methyl-, (5alpha)-RefChem:997904-methyl-4-aza-5 alpha-cholestane1867-76-14-Methyl-4-aza-5alpha-cholestane(4ar,4bs,6ar,9as,9bs,11ar)-1,4a,6a-trimethyl-2-[(2r)-6-methylheptan-2-yl]hexadecahydro-1h-indeno[5,4-f]quinolineDTXSID609401351,4a,6a-Trimethyl-2-(6-methylheptan-2-yl)hexadecahydro-1H-indeno[5,4-f]quinoline
Database identifiers
- CAS
1867-76-1- PubChem CID
- 193335
- DTXSID
DTXSID60940135
Properties
Computed structural properties
- XLogP
- 9.3
- Topological polar surface area
- 3.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 5
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 540
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Compound notes
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