Basic information
- CAS
103466-73-5- Standard SMILES
CCCC(=O)O[C@]1(C(=O)COC(C)=O)[C@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](O)C[C@@]21C- InChIKey
OVTRPNSKIPQZEC-NJLPOHDGSA-N- Molecular formula
- C28H37ClO7
- Average molar mass
- 521 g/mol
- Monoisotopic mass
- 520.2227812
Overview
structure in first source
Names & identifiers
- Preferred name
- Icometasone Enbutate
- IUPAC
- [(8S,9R,10S,11S,13S,14S,16R,17R)-17-(2-acetyloxyacetyl)-9-chloro-11-hydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] butanoate
- English name
- Icometasone
- Molecular formula
- C28H37ClO7
- Molecular weight
- 521.04218
Names & synonyms
Icometasone enbutateCL09103466-73-5CL-0951DNE9RS3Fenbutato de icometasonaicometasonii enbutasRefChem:1476649alpha-chloro-11beta,17alpha,21-trihydroxy-16alpha-methylpregna-1,4-diene-3,20-dione, 17-butyrate, 21-acetateicomethasone enbutateUNII-51DNE9RS3FIcometasone enbutate [INN]
Show more names
Icometasone
Icometasone enbutate [INN:BAN][(8S,9R,10S,11S,13S,14S,16R,17R)-17-(2-acetyloxyacetyl)-9-chloro-11-hydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] butanoateSCHEMBL140440orb2815629CHEMBL2106296DTXSID201364710NS00124215T202077
Database identifiers
- CAS
103466-73-5- PubChem CID
- 65877
- DTXSID
DTXSID201364710- ChEMBL
CHEMBL2106296- UNII
- 51DNE9RS3F
- Nikkaji
- J615.838B
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 107 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 8
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 1,050
Physicochemical properties
- FDA UNII
- 51 DNE9RS3F · 51DNE9RS3F
Chemistry & industry
Suppliers5 total
武汉敬康恩生物医药科技有限公司13720134139 086-15871494362 13720134139 · [email protected]
NANJING YINGWEN BIOTECHNOLOGY CO LTD+8613382787392 · [email protected]
TargetMol 中国（陶术生物）400-821-0310 15002144251 · [email protected]
上海孚一生物科技有限公司18096642264 18096642264 · [email protected]
长沙福臻生物科技有限公司15111215862 18229892877 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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