Basic information
- CAS
76270-08-1- Standard SMILES
CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C.CCCCOCCOC(=O)c1cccnc1.NC(=O)NC1NC(=O)NC1=O.O=C(N[C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1)C(Cl)Cl.S- InChIKey
HTFOOLPJTKYWPG-BYFGGZDYSA-N- Molecular formula
- C50H69Cl2N7O17S
- Average molar mass
- 1,143.1 g/mol
- Monoisotopic mass
- 1,141.3847703
Names & identifiers
- Preferred name
- Actinac
- IUPAC
- 2-butoxyethyl pyridine-3-carboxylate;2,2-dichloro-N-[(1R,2R)-1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]acetamide;[2-[(8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate;(2,5-dioxoimidazolidin-4-yl)urea;sulfane
Names & synonyms
Actinac76270-08-1SCHEMBL311396612-butoxyethyl pyridine-3-carboxylate;2,2-dichloro-N-[(1R,2R)-1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]acetamide;[2-[(8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate;(2,5-dioxoimidazolidin-4-yl)urea;sulfaneAllantoin - chloramphenicol - hydrocortisone - nicoboxil - sulfurAllantoin, chloramphenicol, hydrocortisone, nicoboxil, sulfur drug combinationPregn-4-ene-3,20-dione, 21-(acetyloxy)-11,17-dihydroxy-, (11beta)-, mixt. with 2-butoxyethyl 3-pyridinecarboxylate, (R-(R*,R*))-2,2-dichloro-N-(2-hydroxy-1-(hydroxymethyl)-2-(4-nitrophenyl)ethyl)acetamide, (2,5-dioxo-4-imidazolidinyl)urea and sulfur
Database identifiers
- CAS
76270-08-1- PubChem CID
- 192072
Properties
Computed structural properties
- Topological polar surface area
- 379 Ų
- Hydrogen bond donors
- 10
- Hydrogen bond acceptors
- 19
- Rotatable bonds
- 18
- Heavy atoms
- 77
- Formal charge
- 0
- Complexity
- 1,550
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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