Basic information
- CAS
100001-00-1- Standard SMILES
C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC[C@]2(O)C(=O)CBr- InChIKey
YEZLFDFWWGELQA-JOMPHRNESA-N- Molecular formula
- C20H25BrO3
- Average molar mass
- 393.3 g/mol
Names & identifiers
- Preferred name
- 2-bromo-1-[(8R,9S,13S,14S,17R)-3,17-dihydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]ethanone
- IUPAC
- 2-bromo-1-[(8R,9S,13S,14S,17R)-3,17-dihydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]ethanone
- English name
- 1-propionyl-LSD
- Molecular formula
- C20H25BrO3
- Molecular weight
- 393.31
Names & synonyms
1P-LSD1P-ETH-LAD1-propionyl-LSD1-propionyl-lysergic acid diethylamide3,17α-Dihydroxy-17β-bromacetyl-oestratrien-(1,3,5(10))19-Norpregna-1,3,5(10)-trien-20-one, 21-bromo-3,17-dihydroxy- (6CI,7CI)
Database identifiers
- CAS
100001-00-1
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 57.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 523
Physicochemical properties
- Boiling point
- 544.3 · 544.3±50.0 °C(Predicted)
- Density
- 1.427 · 1.427±0.06 g/cm3(Predicted)
- pka
- 10.23 · 10.23±0.60(Predicted)
- FDA UNII
- 23 R2G2G79C · 23R2G2G79C
Chemistry & industry
Suppliers2 total
杭州洁汉化工有限公司+86-571-86217390; +8618058761490 · [email protected]
上海将牧生物科技有限公司+8615821988213 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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