Paravallarinol hydrobromide
Basic information
- CAS
29847-80-1- Standard SMILES
Br.CN[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC[C@H]([C@H](C)O)[C@@]4(CO)CC[C@@H]32)C1- InChIKey
DMJSWWCAOUIXTN-RZKNDPLNSA-N- Molecular formula
- C22H38BrNO2
- Average molar mass
- 428.4 g/mol
- Monoisotopic mass
- 427.20859
Names & identifiers
- Preferred name
- Paravallarinol hydrobromide
- IUPAC
- (1S)-1-[(3S,8R,9S,10R,13R,14S,17S)-13-(hydroxymethyl)-10-methyl-3-(methylamino)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanol;hydrobromide
Names & synonyms
Paravallarinol hydrobromide29847-80-1RefChem:10943123-beta-Methylaminopregn-5-ene-18,20-diol hydrobromide18,20-Dihydroxy-3-beta-methylaminopregn-5-ene hydrobromidePregn-5-ene-18,20-alpha-diol, 3-beta-(methylamino)-, hydrobromideDTXSID20952299Pregn-5-ene-18,20alpha-diol, 3beta-(methylamino)-, hydrobromide3-(Methylamino)pregn-5-ene-18,20-diol--hydrogen bromide (1/1)(20S)-3beta-(Methylamino)pregn-5-ene-18,20-diol--hydrogen bromide (1/1)
Database identifiers
- CAS
29847-80-1- PubChem CID
- 207394
- DTXSID
DTXSID20952299
Properties
Computed structural properties
- Topological polar surface area
- 52.5 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 546
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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