Androst-5-ene-3-alpha,17-beta-diamine, dihydrochloride
Basic information
- CAS
3346-27-8- Standard SMILES
C[C@]12CC[C@H]3[C@@H](CC=C4C[C@H]([NH3+])CC[C@@]43C)[C@@H]1CC[C@@H]2[NH3+].[Cl-].[Cl-]- InChIKey
RQZSZRMRBKOKDV-ZMLAFVGPSA-N- Molecular formula
- C19H34Cl2N2
- Average molar mass
- 361.4 g/mol
- Monoisotopic mass
- 360.2099045
Names & identifiers
- Preferred name
- Androst-5-ene-3-alpha,17-beta-diamine, dihydrochloride
- IUPAC
- [(3R,8R,9S,10R,13S,14S,17S)-3-azaniumyl-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]azanium dichloride
Names & synonyms
ANDROST-5-ENE-3-alpha,17-beta-DIAMINE, DIHYDROCHLORIDE3346-27-8RefChem:1076979Chlorhydrate de diamino-3-alpha 17-beta androstene-5 [French]3-alpha,17-beta-Diaminoandrost-5-ene dihydrochlorideChlorhydrate de diamino-3-alpha 17-beta androstene-5
Database identifiers
- CAS
3346-27-8- PubChem CID
- 18769
Properties
Computed structural properties
- Topological polar surface area
- 55.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 470
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Compound notes
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