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Details

Stereochemistry ABSOLUTE
Molecular Formula C44H55NO14
Molecular Weight 821.9075
Optical Activity UNSPECIFIED
Defined Stereocenters 11 / 11
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 10-METHYL DOCETAXEL

SMILES

CC1=C2[C@]([H])(C(=O)[C@]3(C)[C@]([H])(C[C@]4([H])[C@@](CO4)([C@@]3([H])[C@@]([H])([C@](C[C@]1([H])OC(=O)[C@@]([H])([C@]([H])(c5ccccc5)N=C(O)OC(C)(C)C)O)(C2(C)C)O)OC(=O)c6ccccc6)OC(=O)C)O)OC

InChI

InChIKey=KWXAADKMZIJIMH-BGKJQISDSA-N
InChI=1S/C44H55NO14/c1-23-27(56-38(51)32(48)31(25-16-12-10-13-17-25)45-39(52)59-40(3,4)5)21-44(53)36(57-37(50)26-18-14-11-15-19-26)34-42(8,35(49)33(54-9)30(23)41(44,6)7)28(47)20-29-43(34,22-55-29)58-24(2)46/h10-19,27-29,31-34,36,47-48,53H,20-22H2,1-9H3,(H,45,52)/t27-,28-,29+,31-,32+,33+,34-,36-,42+,43-,44+/m0/s1

HIDE SMILES / InChI

Molecular Formula C44H55NO14
Molecular Weight 821.9075
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 10 / 11
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Jun 26 09:16:26 UTC 2021
Edited
by admin
on Sat Jun 26 09:16:26 UTC 2021
Record UNII
FU44O0K8DA
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
10-METHYL DOCETAXEL
Common Name English
CABAZITAXEL METABOLITE (RPR112698)
Common Name English
RPR112698
Code English
RPR-112698
Code English
7-DEMETHYL CABAZITAXEL
Common Name English
Code System Code Type Description
PUBCHEM
71722020
Created by admin on Sat Jun 26 09:16:26 UTC 2021 , Edited by admin on Sat Jun 26 09:16:26 UTC 2021
PRIMARY
FDA UNII
FU44O0K8DA
Created by admin on Sat Jun 26 09:16:26 UTC 2021 , Edited by admin on Sat Jun 26 09:16:26 UTC 2021
PRIMARY
CAS
160084-81-1
Created by admin on Sat Jun 26 09:16:26 UTC 2021 , Edited by admin on Sat Jun 26 09:16:26 UTC 2021
PRIMARY
Related Record Type Details
PARENT -> METABOLITE ACTIVE
by the CYP3A4/5 isoenzyme