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Details

Stereochemistry ABSOLUTE
Molecular Formula C45H57NO15
Molecular Weight 851.9318
Optical Activity UNSPECIFIED
Defined Stereocenters 11 / 11
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CABAZITAXEL METABOLITE M07

SMILES

CO[C@H]1C[C@H]2OC[C@@]2(OC(C)=O)[C@H]3[C@H](OC(=O)C4=CC=CC=C4)[C@]5(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)CO)C6=CC=CC=C6)C(C)=C([C@@H](OC)C(=O)[C@]13C)C5(C)C

InChI

InChIKey=NRLSMBCIBVUICA-OAGWZNDDSA-N
InChI=1S/C45H57NO15/c1-24-28(58-39(52)33(49)32(26-16-12-10-13-17-26)46-40(53)61-41(3,4)22-47)21-45(54)37(59-38(51)27-18-14-11-15-19-27)35-43(7,36(50)34(56-9)31(24)42(45,5)6)29(55-8)20-30-44(35,23-57-30)60-25(2)48/h10-19,28-30,32-35,37,47,49,54H,20-23H2,1-9H3,(H,46,53)/t28-,29-,30+,32-,33+,34+,35-,37-,43+,44-,45+/m0/s1

HIDE SMILES / InChI

Molecular Formula C45H57NO15
Molecular Weight 851.9318
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 11 / 11
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Tue Apr 01 23:43:26 GMT 2025
Edited
by admin
on Tue Apr 01 23:43:26 GMT 2025
Record UNII
S9CQ7CB2DC
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CABAZITAXEL METABOLITE M07
Preferred Name English
Code System Code Type Description
PUBCHEM
156596640
Created by admin on Tue Apr 01 23:43:26 GMT 2025 , Edited by admin on Tue Apr 01 23:43:26 GMT 2025
PRIMARY
FDA UNII
S9CQ7CB2DC
Created by admin on Tue Apr 01 23:43:26 GMT 2025 , Edited by admin on Tue Apr 01 23:43:26 GMT 2025
PRIMARY
Related Record Type Details
PARENT -> METABOLITE