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Details

Stereochemistry ABSOLUTE
Molecular Formula C44H55NO14
Molecular Weight 821.9058
Optical Activity UNSPECIFIED
Defined Stereocenters 11 / 11
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 7-METHYL DOCETAXEL

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)C)C6=CC=CC=C6)C(C)=C([C@@H](O)C(=O)[C@]13C)C5(C)C

InChI

InChIKey=CIHAXHLPSYZREI-BGKJQISDSA-N
InChI=1S/C44H55NO14/c1-23-27(56-38(51)33(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)32(47)30(23)41(44,6)7)28(54-9)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 821.9058
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry
Defined Stereocenters 11 / 11
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Tue Oct 22 01:19:56 UTC 2019
Edited
by admin
on Tue Oct 22 01:19:56 UTC 2019
Record UNII
FX7R2617C2
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
7-METHYL DOCETAXEL
Common Name English
RPR123142
Code English
10-DEMETHYL CABAZITAXEL
Common Name English
CABAZITAXEL METABOLITE (RPR123142)
Common Name English
RPR-123142
Code English
Code System Code Type Description
CAS
1420767-25-4
Created by admin on Tue Oct 22 01:19:57 UTC 2019 , Edited by admin on Tue Oct 22 01:19:57 UTC 2019
PRIMARY
PUBCHEM
71722008
Created by admin on Tue Oct 22 01:19:57 UTC 2019 , Edited by admin on Tue Oct 22 01:19:57 UTC 2019
PRIMARY
Related Record Type Details
PARENT -> METABOLITE ACTIVE
by the CYP3A4/5 isoenzyme