Chemical identity

Cabazitaxel Impurity (DiTroc)

CAS 95603-44-4 · C35H38Cl6O14

01Identity

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

Lazychem IDLC-09096
PubChem CID10197390
NameCabazitaxel Impurity (DiTroc)
CAS RN95603-44-4
Molecular formulaC35H38Cl6O14
Molecular weight895.38 g/mol
IUPAC name(2aR,4S,4aS,6R,9S,11S,12S,12aR,12bS)-12b-acetoxy-9,11-dihydroxy-4a,8,13,13-tetramethyl-5-oxo-4,6-bis(((2,2,2-trichloroethoxy)carbonyl)oxy)-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-1H-7,11-methanocyclodeca[3,4]benzo[1,2-b]oxet-12-yl benzoate
InChIKeyQUWPKVRCMDIMRN-UGDYBXLTSA-N

02Structure identifiers

2D structurePubChem CID 10197390
2D structure: Cabazitaxel Impurity (DiTroc), CAS 95603-44-4
Structure of Cabazitaxel Impurity (DiTroc) (CAS 95603-44-4). LazyChem record. Source identity: PubChem CID 10197390. Confirm the identifiers before analytical use.Download structure image

Structure facts for this exact identity.

Molecular formulaC35H38Cl6O14
InChIKeyQUWPKVRCMDIMRN-UGDYBXLTSA-N
Ring count5
Defined stereocentres9
Unassigned stereocentres0
SMILESCC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1O)O)OC(=O)C5=CC=CC=C5)(CO4)OC(=O)C)OC(=O)OCC(Cl)(Cl)Cl)C)OC(=O)OCC(Cl)(Cl)Cl
InChIInChI=1S/C35H38Cl6O14/c1-16-19(43)12-33(48)26(54-27(45)18-9-7-6-8-10-18)24-31(5,25(44)23(22(16)30(33,3)4)53-29(47)51-15-35(39,40)41)20(52-28(46)50-14-34(36,37)38)11-21-32(24,13-49-21)55-17(2)42/h6-10,19-21,23-24,26,43,48H,11-15H2,1-5H3/t19-,20-,21+,23+,24-,26-,31+,32-,33+/m0/s1

03Stereochemistry

The published structure contains 9 defined and 0 unassigned tetrahedral stereocentres. The exact wedge-and-dash depiction is shown above.

Defined stereocentres92D structure
Unassigned stereocentres02D structure
Assignment statusFully assignedExact published identity
Tetrahedral upper bound≤ 512Before 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 95603-44-4 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 95603-44-4 was not found in the reviewed exact-CAS mapping. Generic and analogue entries were not evaluated.

05Names and relationships

Associated parent compound

Cabazitaxel

View API and impurity family

Other names

  • Cabazitaxel Impurity 34
  • [(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4-Acetyloxy-1,15-dihydroxy-10,14,17,17-tetramethyl-11-oxo-9,12-bis(2,2,2-trichloroethoxycarbonyloxy)-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate
  • (2aR,4S,4aS,6R,9S,11S,12S,12aR,12bS)-12b-Acetoxy-9,11-dihydroxy-4a,8,13,13-tetramethyl-5-oxo-4,6-bis(((2,2,2-trichloroethoxy)carbonyl)oxy)-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-1H-7,11-methanocyclodeca[3,4]benzo[1,2-b]oxet-12-yl benzoate
  • QUWPKVRCMDIMRN-UGDYBXLTSA-N
  • 7,10-Di(2,2,2-trichloroethoxycarbonyl)-10-deacetylbaccatin III
  • orb419490
  • 7,10-DiTroc-10-Deacetyl Baccatin III
  • AC-30176
  • Carbonic Acid (2aR,4S,4aS,6R,9S,11S,12S,12aR,12bS)-12b-(acetyloxy)-12-(benzoyloxy)-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-9,11-dihydroxy-4a,8,13,13-tetramethyl-5-oxo-7,11-methano-1H-cyclodeca[3,4]benz[1,2-b]oxete-4,6-diyl bis(2,2,2-trichloroethyl) E

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