7-HEXANOYLTAXOL

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C53H61NO15
Molecular Weight	952.0491
Optical Activity	UNSPECIFIED
Defined Stereocenters	11 / 11
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CCCCCC(=O)O[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)C6=CC=CC=C6)C7=CC=CC=C7)C(C)=C([C@@H](OC(C)=O)C(=O)[C@]13C)C5(C)C

InChI

InChIKey=NZLHIVUUYZXTDR-OFSAWIQQSA-N

InChI=1S/C53H61NO15/c1-8-9-13-26-39(57)67-37-27-38-52(29-64-38,69-32(4)56)44-46(68-48(61)35-24-18-12-19-25-35)53(63)28-36(30(2)40(50(53,5)6)43(65-31(3)55)45(59)51(37,44)7)66-49(62)42(58)41(33-20-14-10-15-21-33)54-47(60)34-22-16-11-17-23-34/h10-12,14-25,36-38,41-44,46,58,63H,8-9,13,26-29H2,1-7H3,(H,54,60)/t36-,37-,38+,41-,42+,43+,44-,46-,51+,52-,53+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C53H61NO15
Molecular Weight	952.0491
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	11 / 11
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

PubMed

Title	Date	PubMed
Mechanism of late in-stent restenosis after implantation of a paclitaxel derivate-eluting polymer stent system in humans.	2002-11-19	12438288

Substance Class	Chemical Created by `admin` on `Tue Apr 01 16:26:19 GMT 2025` Edited by `admin` on `Tue Apr 01 16:26:19 GMT 2025`
Record UNII	IU18HO8U80
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

7-HEXANOYLTAXOL

Common Name

English

QP-2

Preferred Name

English

QP2

Code

English

Code System Code Type Description

CAS

185681-64-5

Created by admin on Tue Apr 01 16:26:19 GMT 2025 , Edited by admin on Tue Apr 01 16:26:19 GMT 2025

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PUBCHEM

9854496

Created by admin on Tue Apr 01 16:26:19 GMT 2025 , Edited by admin on Tue Apr 01 16:26:19 GMT 2025

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FDA UNII

IU18HO8U80

Created by admin on Tue Apr 01 16:26:19 GMT 2025 , Edited by admin on Tue Apr 01 16:26:19 GMT 2025

PRIMARY