Chemical Compound

paclitaxel

CAS Registry Number 33069-62-4
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paclitaxel chemical structure
Primary Record

paclitaxel

In stock
6,094 g
Purity
98.1 %
CAS
33069-62-4

Compound Identifiers & Properties

CAS
33069-62-4
PubChem CID
3320
SMILES
CC12CC(=O)NC13CC4C(C(C(=N4)CC5=C(C6=C(N5)C(=C7C(C(C(=CC(C2CCC(=O)O)N3)N7)CC(=O)O)CCC(=O)O)C(=O)CC6)CC(=O)O)(C)CC(=O)N)CCC(=O)O
Canonical SMILES
CC1(CC(N)=O)C2=NC(CC34NC(=O)CC3(C)C(CCC(=O)O)C(C=C3NC(=C5C(=O)CCc6c5[nH]c(c6CC(=O)O)C2)C(CCC(=O)O)C3CC(=O)O)N4)C1CCC(=O)O

Names & Synonyms

  • paclitaxel
  • AC1L1FNZ
  • CID3320
  • CID 3320
  • 33069-62-4
  • Benzenepropanoic acid, ?-(benzoylamino)-?-hydroxy-, (2aR,4S,4aS,6R,9S,11S,12S,12aR,12bS)-6,12b-bis(acetyloxy)-12-(benzoyloxy)-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-4,11-dihydroxy-4a,8,13,13-tetramethyl-5-oxo-7,11-methano-1H-cyclodeca[3,4]benz[1,2-b]oxet-9-yl ester, (?R,?S)-