Primary Record
Simotaxel
- In stock
- 642 g
- Purity
- 99.2 %
- CAS
- 791635-59-1
Compound Identifiers & Properties
- CAS
- 791635-59-1
- PubChem CID
- 122130226
- SMILES
- CC1=C2[C@H](C(=O)C3([C@H](C[C@@H]4[C@](C3C(C(C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CS5)NC(=O)OC(C)C)O)O)OC(=O)C6=CC=CC=C6)(CO4)OC(=O)C)O)C)OC(=O)C7CCCC7
- Canonical SMILES
- CC(=O)O[C@@]12CO[C@@H]1C[C@H](O)C1(C)C(=O)[C@H](OC(=O)C3CCCC3)C3=C(C)[C@@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)C)c4cccs4)CC(O)(C(OC(=O)c4ccccc4)C12)C3(C)C
Names & Synonyms
- Simotaxel
- (3R,4R)-benzyl 3,4-difluoropyrrolidine-1-carboxylate
- (3R,4R)-3,4-Difluoro-1-pyrrolidinecarboxylic acid phenylmethyl ester
- 791635-59-1