Chemical identity

Paclitaxel EP Impurity O / N-Cinnamoyl N-Debenzoyl Paclitaxel

CAS 219783-77-4 · C49H53NO14

01Identity

Identifiers and names for this exact compound. Empty fields are left unassigned.

Lazychem IDLC-24528
PubChem CID176418198
NamePaclitaxel EP Impurity O / N-Cinnamoyl N-Debenzoyl Paclitaxel
CAS RN219783-77-4
Molecular formulaC49H53NO14
Molecular weight879.49 g/mol
IUPAC name4,10β-bis(acetyloxy)-1,7β-dihydroxy-13α-[[(2R,3S)-2-hydroxy-3-phenyl-3-[[(2E)-3-phenylprop-2-enoyl]amino]propanoyl]oxy]-9-oxo-5β,20-epoxytax-11-en-2α-yl benzoate
InChIKeySESDEFPIFUOEIX-ZEPDPPANSA-N

02Structure identifiers

2D structurePubChem CID 176418198
Two-dimensional chemical structure of Paclitaxel EP Impurity O / N-Cinnamoyl N-Debenzoyl Paclitaxel, CAS 219783-77-4
Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure contains 7 rings, includes aromatic atoms, includes aliphatic carbon, has 10 defined stereocentres. These statements are calculated from the published structure string.

Defined stereocentres10
Unassigned stereocentres1
Ring count7
Secondary amines0
Tertiary amines0
N-methyl amine sites0
SMILESCC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@](C3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)/C=C/C6=CC=CC=C6)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)OC(=O)C
InChINot listed
Formula from structureC49H53NO14
Molecular weight from structure879.49 g/mol

03Stereochemistry

The published structure contains 10 defined and 1 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.

Defined centres10Structure assigned
Unassigned centres1Structure unspecified
Assignment statusPartially assignedExact published identity
Tetrahedral upper bound≤ 2,048Before symmetry reduction

Published same-connectivity configurations

2 records

These records have the same connectivity, molecular formula and protonation layer, but a different complete InChIKey stereochemical layer. Only separately structure-linked records are shown.

Scope: The mathematical 2^n value is only an upper bound. Symmetry and other stereogenic elements can change the number of distinct stereoisomers. A hypothetical configuration is not published as a compound record without a verified structure identity.

04India status for this compound

These results apply only to this exact compound name and CAS number. Confirm the current official instruments before making a regulatory decision.

NDPS / RCSNO EXACT MATCH FOUNDCAS 219783-77-4 has no exact match in the reviewed published schedule.
SCOMETNO EXACT REVIEWED CAS MATCHCAS 219783-77-4 has no exact match in the reviewed SCOMET list.
Review date2026-08-01Recheck the current official instruments for the material, concentration, activity and date in question.

05Names and relationships

Associated parent compound

Paclitaxel

View API and impurity family

Other names

  • Paclitaxel EP Impurity O
  • N-Cinnamoyl N-Debenzoyl Paclitaxel

Related records from the same parent family

06Documented history

Dated discovery, occurrence, use and issue claims are published only when a suitable primary or government source is available.

No dated history available

No verified discovery, first report, occurrence, use or issue event is currently available for this identity.

07Sources