Chemical identity

Paclitaxel EP Impurity P / Benzyl Paclitaxel Analog / Taxol F

CAS 173101-56-9 · C48H53NO14

01Identity

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

Lazychem IDLC-24529
PubChem CID137699561
NamePaclitaxel EP Impurity P / Benzyl Paclitaxel Analog / Taxol F
CAS RN173101-56-9
Molecular formulaC48H53NO14
Molecular weight867.9 g/mol
IUPAC nameN-Debenzoyl-N-(phenylacetyl)paclitaxel
InChIKeyZNHNNRQMRNHUFB-UHFFFAOYSA-N

02Structure identifiers

2D structurePubChem CID 137699561
2D structure: Paclitaxel EP Impurity P / Benzyl Paclitaxel Analog / Taxol F, CAS 173101-56-9
Structure of Paclitaxel EP Impurity P / Benzyl Paclitaxel Analog / Taxol F (CAS 173101-56-9). LazyChem record. Source identity: PubChem CID 137699561. Confirm the identifiers before analytical use.Download structure image

Structure facts for this exact identity.

Molecular formulaC48H53NO14
InChIKeyZNHNNRQMRNHUFB-UHFFFAOYSA-N
Ring count7
Defined stereocentres0
Unassigned stereocentres11
SMILESCC1=C2C(C(=O)C3(C(CC4C(C3C(C(C2(C)C)(CC1OC(=O)C(C(C5=CC=CC=C5)NC(=O)CC6=CC=CC=C6)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)OC(=O)C
InChIInChI=1S/C48H53NO14/c1-26-32(61-44(57)38(54)37(30-18-12-8-13-19-30)49-35(53)22-29-16-10-7-11-17-29)24-48(58)42(62-43(56)31-20-14-9-15-21-31)40-46(6,33(52)23-34-47(40,25-59-34)63-28(3)51)41(55)39(60-27(2)50)36(26)45(48,4)5/h7-21,32-34,37-40,42,52,54,58H,22-25H2,1-6H3,(H,49,53)

03Stereochemistry

The published structure contains 0 defined and 11 unassigned tetrahedral stereocentres. The exact wedge-and-dash depiction is shown above.

Defined stereocentres02D structure
Unassigned stereocentres112D structure
Assignment statusUnassignedExact 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 / RCSNOT FOUND IN REVIEWED ENTRIESCAS 173101-56-9 was not found in the reviewed exact-identity entries. Generic, class, analogue, salt and isomer provisions were not evaluated.
SCOMETNOT FOUND IN REVIEWED CAS ENTRIESCAS 173101-56-9 was not found in the reviewed exact-CAS mapping. Generic and analogue entries were not evaluated.

05Names and relationships

Associated parent compound

Paclitaxel

View API and impurity family

Other names

  • Paclitaxel EP Impurity P
  • Benzyl Paclitaxel Analog
  • Taxol F
  • (4,12-Diacetyloxy-1,9-dihydroxy-15-(2-hydroxy-3-phenyl-3-((2-phenylacetyl)amino)propanoyl)oxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo(11.3.1.03,10.04,7)heptadec-13-en-2-yl) benzoate
  • orb320947
  • (alphaR,betaS)-alpha-Hydroxy-beta-[(phenylacetyl)amino]benzenepropanoic Acid (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-cyclodec

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