Structure via PubChem · Public domain (PubChem)
Chemical data
- Formula
- C37H61BrN2O4
- Molecular weight
- 677.8 g/mol
- IUPAC name
- [(2S,3S,5S,8R,9S,10S,13S,14S,16S,17R)-3-acetyloxy-10,13-dimethyl-2-piperidin-1-yl-16-(1-prop-2-enylpiperidin-1-ium-1-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl] propanoate bromide
- SMILES
- CCC(=O)O[C@H]1[C@H](C[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3(C[C@@H]([C@H](C4)OC(=O)C)N5CCCCC5)C)C)[N+]6(CCCCC6)CC=C.[Br-]
- InChIKey
- LVQTUXZKLGXYIU-GWSNJHLMSA-M
- Polar surface area
- 55.8 Ų
- H-bond donors
- 0
- H-bond acceptors
- 6
- Formal charge
- 0
via PubChem
Drug data · ChEMBL
Withdrawn- Max clinical phase
- Approved
- Molecule type
- Small molecule
- First approval
- 1999
- Admin. routes
- parenteral
via ChEMBL · EBI
Wikidata facts
- Subclass of
- chemical compound
- Has part
- bromine
- Mass
- 676.381
- Has use
- medication
Show 3 more facts
- chemical formula
- C₃₇H₆₁BrN₂O₄
- canonical SMILES
- CCC(=O)OC1C(CC2C1(CCC3C2CCC4C3(CC(C(C4)OC(=O)C)N5CCCCC5)C)C)[N+]6(CCCCC6)CC=C.[Br-]
- isomeric SMILES
- CCC(=O)O[C@H]1[C@H](C[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3(C[C@@H]([C@H](C4)OC(=O)C)N5CCCCC5)C)C)[N+]6(CCCCC6)CC=C.[Br-]
Sources (2)
via Wikidata · CC0