(17beta)-17-((3-Hydroxypropyl)amino)estra-1,3,5(10)-trien-3-ol
Basic information
- CAS
99876-41-2- Standard SMILES
C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC[C@@H]2NCCCO- InChIKey
FRZIQVNLLGECCX-MJCUULBUSA-N- Molecular formula
- C21H31NO2
- Average molar mass
- 329.5 g/mol
- Monoisotopic mass
- 329.23547923
Overview
a derivative of natural estrogenic steroid with a 17-beta-amino-alcohol side chain, 3-hydroxypropylamine; exhibits estrogenic and anti-coagulation effects
Names & identifiers
- Preferred name
- (17beta)-17-((3-Hydroxypropyl)amino)estra-1,3,5(10)-trien-3-ol
- IUPAC
- (8R,9S,13S,14S,17S)-17-(3-hydroxypropylamino)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-ol
- English name
- prolame
- Molecular formula
- C21H31NO2
- Molecular weight
- 329.481
Names & synonyms
Prolame99876-41-2O0UN4KN1EV17beta-(3-hydroxy-1-propylamino)-1,3,5(10)-estratrien-3-olDTXSID40912431N-(3-Hydroxy-1,3,5(10)-estratrien-17-yl)-3-hydroxypropylamineEstra-1,3,5(10)-trien-3-ol, 17-((3-hydroxypropyl)amino)-, (17beta)-RefChem:176184DTXCID701341452(17BETA)-17-((3-HYDROXYPROPYL)AMINO)ESTRA-1,3,5(10)-TRIEN-3-OLUNII-O0UN4KN1EV(8R,9S,13S,14S,17S)-17-(3-hydroxypropylamino)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-ol
Show more names
17beta-[(3-Hydroxypropyl)amino]estra-1(10),2,4-trien-3-ol(17.BETA.)-17-((3-HYDROXYPROPYL)AMINO)ESTRA-1,3,5(10)-TRIEN-3-OLESTRA-1,3,5(10)-TRIEN-3-OL, 17-((3-HYDROXYPROPYL)AMINO)-, (17.BETA.)-
Database identifiers
- CAS
99876-41-2- PubChem CID
- 127441
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 52.5 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 442
Physicochemical properties
- solubility
- 2 mg/mL, · DMSO: 2 mg/mL, clear (Warmed)
- form
- powder
- color
- white to beige
- SMILES
- C[C@@]12[C@H](CC[C@@]1([H])[C@]3([H])CCC4=CC(O)=CC=C4[C@@]3([H])CC2)NCCCO
- FDA UNII
- 0 UN4KN1EV · O0UN4KN1EV
- NACRES
- 21 · NA.21
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…