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Details

Stereochemistry ABSOLUTE
Molecular Formula C66H81NO17
Molecular Weight 1160.3458
Optical Activity UNSPECIFIED
Defined Stereocenters 11 / 11
E/Z Centers 2
Charge 0

SHOW SMILES / InChI
Structure of PACLITAXEL 2'-LINOLEYL CARBONATE

SMILES

[H][C@@]12C[C@H](O)[C@@]3(C)C(=O)[C@H](OC(C)=O)C4=C(C)[C@H](C[C@@](O)([C@@H](OC(=O)C5=CC=CC=C5)[C@]3([H])[C@@]1(CO2)OC(C)=O)C4(C)C)OC(=O)[C@H](OC(=O)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC)[C@@H](NC(=O)C6=CC=CC=C6)C7=CC=CC=C7

InChI

InChIKey=FGSNWFZAHNIDKT-SEWYIPPUSA-N
InChI=1S/C66H81NO17/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-21-31-38-51(71)81-62(76)82-55(53(45-32-25-22-26-33-45)67-59(73)46-34-27-23-28-35-46)61(75)80-48-40-66(77)58(83-60(74)47-36-29-24-30-37-47)56-64(7,49(70)39-50-65(56,41-78-50)84-44(4)69)57(72)54(79-43(3)68)52(42(48)2)63(66,5)6/h12-13,15-16,22-30,32-37,48-50,53-56,58,70,77H,8-11,14,17-21,31,38-41H2,1-7H3,(H,67,73)/b13-12-,16-15-/t48-,49-,50+,53-,54+,55+,56-,58-,64+,65-,66+/m0/s1

HIDE SMILES / InChI

Molecular Formula C66H81NO17
Molecular Weight 1160.3458
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 10 / 11
E/Z Centers 2
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 15:20:29 UTC 2023
Edited
by admin
on Fri Dec 15 15:20:29 UTC 2023
Record UNII
9C1VFB8B7X
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
PACLITAXEL 2'-LINOLEYL CARBONATE
Common Name English
LOC-PAC
Common Name English
Code System Code Type Description
PUBCHEM
76964551
Created by admin on Fri Dec 15 15:20:29 UTC 2023 , Edited by admin on Fri Dec 15 15:20:29 UTC 2023
PRIMARY
CAS
463952-62-7
Created by admin on Fri Dec 15 15:20:29 UTC 2023 , Edited by admin on Fri Dec 15 15:20:29 UTC 2023
PRIMARY
FDA UNII
9C1VFB8B7X
Created by admin on Fri Dec 15 15:20:29 UTC 2023 , Edited by admin on Fri Dec 15 15:20:29 UTC 2023
PRIMARY
MANUFACTURER PRODUCT INFORMATION
LOC-PAC
Created by admin on Fri Dec 15 15:20:29 UTC 2023 , Edited by admin on Fri Dec 15 15:20:29 UTC 2023
PRIMARY
Related Record Type Details
ACTIVE MOIETY
Phase I/II study of weekly LOC-paclitaxel (LOC-pac) injection in patients (pts) with metastatic melanoma (MM).
ACTIVE MOIETY
Originator: Luitpold Pharmaceuticals; Developer: Luitpold Pharmaceuticals, University of Texas M. D. Anderson Cancer Center; Class: Antineoplastic, Diterpene, Paclitaxel, Small molecule, Taxane; Mechanism of Action: Mitosis inhibitor, Platelet-derived growth factor inhibitor, Proto-oncogene protein c-bcl-2 inhibitor, Tubulin inhibitor, Tubulin polymerisation promoter; Highest Development Phase: Phase I/II Malignant melanoma; Most Recent Event: 01 Feb 2016 Luitpold completes a phase I/II trial in Malignant melanoma (Metastatic disease) in USA (IV) (NCT01039844)