Chemical identity

Paclitaxel EP Impurity M / Paclitaxel Oxetane Ring-Opened 3-Acetyl 4-Benzoyl Impurity

CAS 932042-85-8 · C47H53NO15

01Identity

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

Lazychem IDLC-24526
PubChem CID71751428
NamePaclitaxel EP Impurity M / Paclitaxel Oxetane Ring-Opened 3-Acetyl 4-Benzoyl Impurity
CAS RN932042-85-8
Molecular formulaC47H53NO15
Molecular weight871.92 g/mol
IUPAC name1,2α,4,7β-Dihydroxy-9-oxotax-11-ene-5β,10β,13α,20-tetrayl 5,10-diacetate 20-benzoate 13-[(2R,3S)-3-(benzoylamino)-2-hydroxy-3-phenylpropanoate]
InChIKeyBWBMUOOTJLNHSQ-SJBOGKINSA-N

02Structure identifiers

2D structurePubChem CID 71751428
2D structure: Paclitaxel EP Impurity M / Paclitaxel Oxetane Ring-Opened 3-Acetyl 4-Benzoyl Impurity, CAS 932042-85-8
Structure of Paclitaxel EP Impurity M / Paclitaxel Oxetane Ring-Opened 3-Acetyl 4-Benzoyl Impurity (CAS 932042-85-8). LazyChem record. Source identity: PubChem CID 71751428. Confirm the identifiers before analytical use.Download structure image

Structure facts for this exact identity.

Molecular formulaC47H53NO15
InChIKeyBWBMUOOTJLNHSQ-SJBOGKINSA-N
Ring count6
Defined stereocentres11
Unassigned stereocentres0
SMILESCC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]([C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C4=CC=CC=C4)NC(=O)C5=CC=CC=C5)O)O)O)(COC(=O)C6=CC=CC=C6)O)OC(=O)C)O)C)OC(=O)C
InChIInChI=1S/C47H53NO15/c1-25-31(63-43(57)36(52)35(28-16-10-7-11-17-28)48-41(55)29-18-12-8-13-19-29)23-47(59)40(54)38-45(6,39(53)37(62-27(3)50)34(25)44(47,4)5)32(51)22-33(61-26(2)49)46(38,58)24-60-42(56)30-20-14-9-15-21-30/h7-21,31-33,35-38,40,51-52,54,58-59H,22-24H2,1-6H3,(H,48,55)/t31-,32-,33-,35-,36+,37+,38-,40-,45+,46-,47+/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 932042-85-8 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 932042-85-8 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 M
  • Paclitaxel Oxetane Ring-Opened 3-Acetyl 4-Benzoyl Impurity
  • [(1S,2S,3R,4S,5S,7S,8S,10R,13S)-5,10-Diacetyloxy-13-[(2R,3S)-3-benzamido-2-hydroxy-3-phenylpropanoyl]oxy-1,2,4,7-tetrahydroxy-8,12,15,15-tetramethyl-9-oxo-4-tricyclo[9.3.1.03,8]pentadec-11-enyl]methyl benzoate
  • 5alpha,10beta-bis(acetyloxy)-13alpha-[[(2R,3S)-3-benzamido-2-hydroxy-3-phenylpropanoyl]oxy]-1,2alpha,4,7beta-tetrahydroxy-9-oxotax-11-en-20-yl benzoate
  • Paclitaxel Impurity 41
  • FP26724
  • Benzenepropanoic acid, beta-(benzoylamino)-alpha-hydroxy-, (1S,3S,4S,4aR,5S,6S,8S,11R,12aS)-3,11-bis(acetyloxy)-4-[(benzoyloxy)methyl]-1,2,3,4,4a,5,6,7,8,11,12,12a-dodecahydro-1,4,5,6-tetrahydroxy-9,12a,13,13-tetramethyl-12-oxo-6,10-methanobenzocyclodecen-8-yl ester, (alphaR,betaS)-
  • PACLITAXEL IMPURITY M [EP IMPURITY]
  • (1S,3S,4S,4aR,5S,6S,8S,11R,12aS)-3,11-Bis(acetyloxy)-4-[(benzoyloxy)methyl]-1,2,3,4,4a,5,6,7,8,11,12,12a-dodecahydro-1,4,5,6-tetrahydroxy-9,12a,13,13-tetramethyl-12-oxo-6,10-methanobenzocyclodecen-8-yl (alphaR,betaS)-beta-(benzoylamino)-alpha-hydroxybenzenepropanoate

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