Structure via PubChem · Public domain (PubChem)
Chemical data
- Formula
- C35H62Br2N4O4
- Molecular weight
- 762.7 g/mol
- IUPAC name
- [(2S,3S,5S,8R,9S,10S,13S,14S,16S,17R)-17-acetyloxy-2,16-bis(4,4-dimethylpiperazin-4-ium-1-yl)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate dibromide
- SMILES
- CC(=O)O[C@H]1C[C@@H]2CC[C@@H]3[C@@H]([C@]2(C[C@@H]1N4CC[N+](CC4)(C)C)C)CC[C@]5([C@H]3C[C@@H]([C@@H]5OC(=O)C)N6CC[N+](CC6)(C)C)C.[Br-].[Br-]
- InChIKey
- TXWBOBJCRVVBJF-YTGGZNJNSA-L
- Polar surface area
- 59.1 Ų
- H-bond donors
- 0
- H-bond acceptors
- 8
- Formal charge
- 0
via PubChem
Wikidata facts
- Mass
- 760.313780664
Show 3 more facts
- chemical formula
- C₃₅H₆₂Br₂N₄O₄
- canonical SMILES
- CC(=O)OC1CC2CCC3C(C2(CC1N4CC[N+](CC4)(C)C)C)CCC5(C3CC(C5OC(=O)C)N6CC[N+](CC6)(C)C)C.[Br-].[Br-]
- isomeric SMILES
- CC(=O)O[C@H]1C[C@@H]2CC[C@@H]3[C@@H]([C@]2(C[C@@H]1N4CC[N+](CC4)(C)C)C)CC[C@]5([C@H]3C[C@@H]([C@@H]5OC(=O)C)N6CC[N+](CC6)(C)C)C.[Br-].[Br-]
Sources (1)
via Wikidata · CC0
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via Wikidata sitelinks · CC0