Chemical identity

Paclitaxel EP Impurity C / Paclitaxel C

CAS 153415-45-3 · C46H57NO14

01Identity

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

Lazychem IDLC-24516
PubChem CID9962663
NamePaclitaxel EP Impurity C / Paclitaxel C
CAS RN153415-45-3
Molecular formulaC46H57NO14
Molecular weight847.94 g/mol
IUPAC nameN-Debenzoyl-N-hexanoylpaclitaxel
InChIKeyBEHTXUBGUDGCNQ-IEAAAIHOSA-N

02Structure identifiers

2D structurePubChem CID 9962663
2D structure: Paclitaxel EP Impurity C / Paclitaxel C, CAS 153415-45-3
Structure of Paclitaxel EP Impurity C / Paclitaxel C (CAS 153415-45-3). LazyChem record. Source identity: PubChem CID 9962663. Confirm the identifiers before analytical use.Download structure image

Structure facts for this exact identity.

Molecular formulaC46H57NO14
InChIKeyBEHTXUBGUDGCNQ-IEAAAIHOSA-N
Ring count6
Defined stereocentres11
Unassigned stereocentres0
SMILESCCCCCC(=O)N[C@@H](C1=CC=CC=C1)[C@H](C(=O)O[C@H]2C[C@]3([C@H]([C@H]4[C@@]([C@H](C[C@@H]5[C@]4(CO5)OC(=O)C)O)(C(=O)[C@@H](C(=C2C)C3(C)C)OC(=O)C)C)OC(=O)C6=CC=CC=C6)O)O
InChIInChI=1S/C46H57NO14/c1-8-9-12-21-33(51)47-35(28-17-13-10-14-18-28)36(52)42(55)59-30-23-46(56)40(60-41(54)29-19-15-11-16-20-29)38-44(7,31(50)22-32-45(38,24-57-32)61-27(4)49)39(53)37(58-26(3)48)34(25(30)2)43(46,5)6/h10-11,13-20,30-32,35-38,40,50,52,56H,8-9,12,21-24H2,1-7H3,(H,47,51)/t30-,31-,32+,35-,36+,37+,38-,40-,44+,45-,46+/m0/s1

03Stereochemistry

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

Defined stereocentres112D structure
Unassigned stereocentres02D structure
Assignment statusFully assignedExact published identity
Tetrahedral upper bound≤ 2,048Before symmetry reduction

Published same-connectivity configurations

1 record

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.

No additional structure-linked configuration with the same connectivity is currently present in the LazyChem dataset.

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 153415-45-3 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 153415-45-3 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 C
  • Taxol C
  • [(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4,12-diacetyloxy-15-[(2R,3S)-3-(hexanoylamino)-2-hydroxy-3-phenylpropanoyl]oxy-1,9-dihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate
  • Paclitaxel C
  • Taxuyunnanine
  • Paclitaxel impurity C

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