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Details

Stereochemistry ABSOLUTE
Molecular Formula C69H81NO15
Molecular Weight 1164.3791
Optical Activity UNSPECIFIED
Defined Stereocenters 11 / 11
E/Z Centers 6
Charge 0

SHOW SMILES / InChI
Structure of PACLITAXEL DOCOSAHEXAENOIC ACID

SMILES

[H][C@]12[C@H](OC(=O)C3=CC=CC=C3)[C@]4(O)C[C@H](OC(=O)[C@H](OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)[C@@H](NC(=O)C5=CC=CC=C5)C6=CC=CC=C6)C(C)=C([C@@H](OC(C)=O)C(=O)[C@]1(C)[C@@H](O)C[C@H]7OC[C@@]27OC(C)=O)C4(C)C

InChI

InChIKey=LRCZQSDQZJBHAF-PUBGEWHCSA-N
InChI=1S/C69H81NO15/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-35-42-55(74)83-59(57(49-36-29-26-30-37-49)70-63(76)50-38-31-27-32-39-50)65(78)82-52-44-69(79)62(84-64(77)51-40-33-28-34-41-51)60-67(7,53(73)43-54-68(60,45-80-54)85-48(4)72)61(75)58(81-47(3)71)56(46(52)2)66(69,5)6/h9-10,12-13,15-16,18-19,21-22,24-34,36-41,52-54,57-60,62,73,79H,8,11,14,17,20,23,35,42-45H2,1-7H3,(H,70,76)/b10-9-,13-12-,16-15-,19-18-,22-21-,25-24-/t52-,53-,54+,57-,58+,59+,60-,62-,67+,68-,69+/m0/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
PACLITAXEL DOCOSAHEXAENOIC ACID
Common Name English
PACLITAXEL 2'-(ALL-CIS-4,7,10,13,16,19-DOCOSAHEXAENOATE)
Common Name English
PACLITAXEL-DHA
Common Name English
DHA-PACLITAXEL
Common Name English
PACLITAXEL DOCOSAHEXAENOIC ACID ESTER
Common Name English
Dha paclitaxel [WHO-DD]
Common Name English
DHA PACLITAXEL
WHO-DD  
Common Name English
TAXOPREXIN
Brand Name English
Classification Tree Code System Code
FDA ORPHAN DRUG 153301
Created by admin on Fri Dec 15 16:36:25 UTC 2023 , Edited by admin on Fri Dec 15 16:36:25 UTC 2023
FDA ORPHAN DRUG 153001
Created by admin on Fri Dec 15 16:36:25 UTC 2023 , Edited by admin on Fri Dec 15 16:36:25 UTC 2023
FDA ORPHAN DRUG 147801
Created by admin on Fri Dec 15 16:36:25 UTC 2023 , Edited by admin on Fri Dec 15 16:36:25 UTC 2023
NCI_THESAURUS C1490
Created by admin on Fri Dec 15 16:36:25 UTC 2023 , Edited by admin on Fri Dec 15 16:36:25 UTC 2023
NCI_THESAURUS C67437
Created by admin on Fri Dec 15 16:36:25 UTC 2023 , Edited by admin on Fri Dec 15 16:36:25 UTC 2023
Code System Code Type Description
PUBCHEM
6918473
Created by admin on Fri Dec 15 16:36:25 UTC 2023 , Edited by admin on Fri Dec 15 16:36:25 UTC 2023
PRIMARY
NCI_THESAURUS
C2649
Created by admin on Fri Dec 15 16:36:25 UTC 2023 , Edited by admin on Fri Dec 15 16:36:25 UTC 2023
PRIMARY NCIT
WIKIPEDIA
DHA-PACLITAXEL
Created by admin on Fri Dec 15 16:36:25 UTC 2023 , Edited by admin on Fri Dec 15 16:36:25 UTC 2023
PRIMARY
FDA UNII
OJE5810C4F
Created by admin on Fri Dec 15 16:36:25 UTC 2023 , Edited by admin on Fri Dec 15 16:36:25 UTC 2023
PRIMARY
DRUG BANK
DB05297
Created by admin on Fri Dec 15 16:36:25 UTC 2023 , Edited by admin on Fri Dec 15 16:36:25 UTC 2023
PRIMARY
NSC
683347
Created by admin on Fri Dec 15 16:36:25 UTC 2023 , Edited by admin on Fri Dec 15 16:36:25 UTC 2023
PRIMARY
CAS
199796-52-6
Created by admin on Fri Dec 15 16:36:25 UTC 2023 , Edited by admin on Fri Dec 15 16:36:25 UTC 2023
PRIMARY
EPA CompTox
DTXSID00873216
Created by admin on Fri Dec 15 16:36:25 UTC 2023 , Edited by admin on Fri Dec 15 16:36:25 UTC 2023
PRIMARY