Hexolame
Basic information
- CAS
110346-23-1- Standard SMILES
C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC[C@@H]2NCCCCCCO- InChIKey
DPRSBWGNESQTLG-DJCPXJLLSA-N- Molecular formula
- C24H37NO2
- Average molar mass
- 371.6 g/mol
- Monoisotopic mass
- 371.28242942
Overview
a 17-beta-amino estrogen with anticoagulant and estrogenic effects; structure given in first source
Names & identifiers
- Preferred name
- Hexolame
- IUPAC
- (8R,9S,13S,14S,17S)-17-(6-hydroxyhexylamino)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-ol
- English name
- hexolame
- Molecular formula
- C24H37NO2
- Molecular weight
- 371.56
Names & synonyms
Hexolame110346-23-1ESL7LZ0FOLDTXSID10911613N-(3-Hydroxy-1,3,5(10)-estratrien 17-yl)-6-hydroxyhexylamineEstra-1,3,5(10)-trien-3-ol, 17-((6-hydroxyhexyl)amino)-, (17beta)-RefChem:146314DTXCID501340646NSC357293(8R,9S,13S,14S,17S)-17-(6-hydroxyhexylamino)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-olUNII-ESL7LZ0FOLorb3027853
Show more names
17β-(6'-Hydroxy-1'-hexylamino)-1,3,5(10)-estratrien-3-olEstra-1,3,5(10)-trien-3-ol, 17-[(6-hydroxyhexyl)amino]-, (17β)-
NSC-357293T20732917beta-[(6-Hydroxyhexyl)amino]estra-1(10),2,4-trien-3-olEstra-1,5(10)-trien-3-ol, 17-[(6-hydroxyhexyl)amino]-, (17.beta.)-(17.BETA.)-17-((6-HYDROXYHEXYL)AMINO)ESTRA-1,3,5(10)-TRIEN-3-OLESTRA-1,3,5(10)-TRIEN-3-OL, 17-((6-HYDROXYHEXYL)AMINO)-, (17.BETA.)-
Database identifiers
- CAS
110346-23-1- PubChem CID
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 52.5 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 483
Physicochemical properties
- Boiling point
- 543.213 · 543.213±50.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.119 · 1.119±0.10 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 10.257 · 10.257±0.40(predicted)
- FDA UNII
- 7 LZ0FOL · ESL7LZ0FOL
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…