Basic information
- CAS
2517964-85-9- Standard SMILES
CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@]2(C)C(c4ccc[n+]([O-])c4)=CC[C@@H]32)C1- InChIKey
RHLDSCIZFATDAW-UBUQANBQSA-N- Molecular formula
- C26H33NO3
- Average molar mass
- 407.5 g/mol
- Monoisotopic mass
- 407.24604391
Names & identifiers
- Preferred name
- Abiraterone acetate N-oxide
- IUPAC
- [(3S,8R,9S,10R,13S,14S)-10,13-dimethyl-17-(1-oxidopyridin-1-ium-3-yl)-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
- English name
- 3-((3S,8R,9S,10R,13S,14S)-3-acetoxy-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)pyridine 1-oxide
- Molecular formula
- C26H33NO3
- Molecular weight
- 407.55
Names & synonyms
Abiraterone acetate N-oxide2517964-85-9Abiraterone Impurity 143-((3S,8R,9S,10R,13S,14S)-3-acetoxy-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)pyridine 1-oxide7Q76X96JMRSCHEMBL28573589Androsta-5,16-dien-3-ol, 17-(1-oxido-3-pyridinyl)-, 3-acetate, (3beta)-Abiraterone Impurity 07Abiraterone impurities424Acetic acid abiolone impurity 7Androsta-5,16-dien-3-ol, 17-(1-oxido-3-pyridinyl)-, 3-acetate, (3β)-Abiraterone acetate N-oxideQ: What is Abiraterone acetate N-oxide Q: What is the CAS Number of Abiraterone acetate N-oxide Q: What is the storage condition of Abiraterone acetate N-oxide Q: What are the applications of Abiraterone acetate N-oxide
Database identifiers
- CAS
2517964-85-9- PubChem CID
- 129012014
- UNII
- 7Q76X96JMR
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 51.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 772
Physicochemical properties
- Boiling point
- 570 · 570.0±50.0 °C(Predicted)
- Density
- 1.24 · 1.24±0.1 g/cm3(Predicted)
- solubility
- Chloroform (Slightly), Methanol (Slightly)
- form
- Solid
- pka
- 0.88 · 0.88±0.10(Predicted)
- color
- White to Off-White
- Stability
- Light Sensitive
Chemistry & industry
Applications
UsesAbiraterone Acetate N-Oxide is a derivative of Abiraterone Acetate (A108500), a novel steroidal inhibitor of human Cytochrome P450 (17a-Hydroxylase-C17,20-lyase): potential agent for the treatment of prostatic cancer.
Suppliers20 total
艾吉析科技（上海）有限公司17717235263 · [email protected]
怀化元研达生物技术有限责任公司18711085600 · [email protected]
怀化元研达生物技术有限责任公司18711085600; 18229999901 · [email protected]
Moxin Chemicals+86-17320513646 +86-17320513646 · [email protected]
北京康派森医药科技有限公司010-010-52878169 15801002657 · [email protected]
深圳振强药物研发有限公司0755-66853366 13670046396 · [email protected]
常州翔龙医药科技有限公司18915873328 18915873328 · [email protected]
TLC梯尔希（南京）药物研发有限公司18012923235 · [email protected]
深圳振强药物研发有限公司+86-0755-66853366 +86-13670046396 · [email protected]
BOC Sciences16314854226; +8616314854226 · [email protected]
艾吉析科技（上海）有限公司17717235263 17717235263 · [email protected]
湖北扬信医药科技有限公司
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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