Catalogue Number: AD264
Abiraterone O-β-D-glucuronide
(3β)-17-(3-Pyridinyl)androsta-5,16-dien-3-yl β-D-glucopyranosiduronic acid, CB 7598 glucuronide
Categories
Properties
- CAS Number
- 2307194-33-6
- Molecular Formula
- C30H39NO7
- Molecular Weight
- 525.63
- Chemical Purity
- Min. 98% [1H-NMR]
- Appearance
- White Crystalline Solid
- Melting Point
- 270-274 °C (dec.)
- Solubility
- DMSO, MeOH (weakly), H2O (weakly)
Regulatory
- SDS
- SDS PDF (New Window)
- Search for COA
-
- DSL Status (Canada)
- None
- TSCA Certification (United States)
- Negative Certification
- RTECS Number
- N/A
Storage & Shipping
- Storage
- Store at 0 to -20 °C.
- Shipping Conditions
- Ambient, Express Only
- Tariff Code (United States)
- 2938900000
Safety
Not a dangerous substance according to GHS.
Search Terms
IUPAC Name
(2S,3S,4S,5R,6R)-6-{(1S,2R,5S,10R,11S,15S)-2,15-Dimethyl-14-(3-pyridyl)tetracyclo[8.7.0.02,7.011,15]heptadeca-7,13-dien-5-yloxy}-3,4,5-trihydroxytetrahydro-2H-pyran-2-carboxylic acid
InChI
InChI=1S/C30H39NO7/c1-29-11-9-18(37-28-25(34)23(32)24(33)26(38-28)27(35)36)14-17(29)5-6-19-21-8-7-20(16-4-3-13-31-15-16)30(21,2)12-10-22(19)29/h3-5,7,13,15,18-19,21-26,28,32-34H,6,8-12,14H2,1-2H3,(H,35,36)/t18-,19-,21-,22-,23-,24-,25+,26-,28+,29-,30+/m0/s1
InChI Key
KPALNZWCXXEGPL-IZCNWNRZSA-N
Smiles
C[C@]12[C@H]3CC[C@@]4(C(=CC[C@H]4[C@@H]3CC=C2C[C@H](CC1)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)C(=O)O)O)O)O)C=1C=NC=CC1)C