Account (4aS,6aR,6bS,8aR,12aS,14aR,14bS)-11-Cyano-2,2,6a,6b,9,9,12a-heptamethyl-10,14-dioxo-1,3,4,5,6,6a,6b,7,8,8a,9,10,12a,14,14a,14b-hexadecahydropicene-4a(2H)-carboxylic acid
- Catalog No. :
- ACCFAT156
- CAS No. :
- 218600-44-3
- Molecular Formula :
- C31H41NO4
- Molecular Weight :
- 491.67
IUPAC Name:(4aS,6aR,6bS,12aS,14aR,14bR)-11-cyano-2,2,6a,6b,9,9,12a-heptamethyl-10,14-dioxo-1,3,4,5,6,6a,6b,7,8,8a,9,10,12a,14,14a,14b-hexadecahydropicene-4a(2H)-carboxylic acid
Pack SizePurityList PriceYour PriceGlobal StockUS StockQuantity
50mg98%$101.00Login to see priceIn stockInquiry
100mg98%$170.00Login to see priceIn stockInquiry
250mg98%$292.00Login to see priceIn stockInquiry
1g98%$777.00Login to see priceIn stockInquiry
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Product Information
| Product Name | (4aS,6aR,6bS,8aR,12aS,14aR,14bS)-11-Cyano-2,2,6a,6b,9,9,12a-heptamethyl-10,14-dioxo-1,3,4,5,6,6a,6b,7,8,8a,9,10,12a,14,14a,14b-hexadecahydropicene-4a(2H)-carboxylic acid |
|---|---|
| IUPAC Name | (4aS,6aR,6bS,12aS,14aR,14bR)-11-cyano-2,2,6a,6b,9,9,12a-heptamethyl-10,14-dioxo-1,3,4,5,6,6a,6b,7,8,8a,9,10,12a,14,14a,14b-hexadecahydropicene-4a(2H)-carboxylic acid |
| MDL No. | MFCD07772296 |
| Molecular Formula | C31H41NO4 |
| Molecular Weight | 491.67 |
| SMILES | O=C([C@]1(CC[C@@]2(C)[C@]3(C)CCC4C(C)(C)C(C(C#N)=C[C@]4(C)C3=C5)=O)CCC(C)(C)C[C@]1([H])[C@@]2([H])C5=O)O |
| InChI Key | TXGZJQLMVSIZEI-YASXASFSSA-N |
| Synonym | Bardoxolone (USAN/INN) | 2-cyano-3,12-dioxooleana-1,9(11)-dien-28-oic acid | AKOS032960362 | D09584 | BARDOXOLONE [MI] | RTA-401 | EX-A1731 | Bardoxolone | RTA 401 | J-509189 | DB12651 | CS-0142402 | RTA 402; CCDO;(4aS,6aR,6bS,8aR,12aS,14aR,14bS)-11-cyano |
| CAS No. | 218600-44-3 |
| PubChem CID | 400010 |
Safety Data
- Pictogram
- Signal Word
- Danger
- Hazard Statement(s)
- H301
- Precautionary Statement(s)
- P264-P270-P301+P310-P321-P330-P405-P501
Synthetic Route by SureRoute
2. ACCFAT156 Molecular Building Block Synthetic Route
Bardoxolone methyl
(4aR,6aS,6bR,8aS,12aS,12bR,14bS)-8a-amino-4,4,6a,6b,11,11,14b-heptamethyl-3,13-dioxo-3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-octadecahydropicene-2-carbonitrile
(4bS,8S,8aR)-8-(hydroxymethyl)-2-isopropyl-4b,8-dimethyl-5,6,8,8a,9,10-hexahydrophenanthrene-1,4,7(4bH)-trione