10-METHYL DOCETAXEL

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 Search

SMILES

[H][C@@]12C[C@H](O)[C@@]3(C)C(=O)[C@H](OC)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](O)[C@@H](NC(=O)OC(C)(C)C)C6=CC=CC=C6

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	821.9058
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 Dec 16 09:10:37 UTC 2023` Edited by `admin` on `Sat Dec 16 09:10:37 UTC 2023`
Record UNII	FU44O0K8DA
Record Status	`Validated (UNII)`
Record Version

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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 Dec 16 09:10:37 UTC 2023 , Edited by admin on Sat Dec 16 09:10:37 UTC 2023

PRIMARY

FDA UNII

FU44O0K8DA

Created by admin on Sat Dec 16 09:10:37 UTC 2023 , Edited by admin on Sat Dec 16 09:10:37 UTC 2023

PRIMARY

CAS

160084-81-1

Created by admin on Sat Dec 16 09:10:37 UTC 2023 , Edited by admin on Sat Dec 16 09:10:37 UTC 2023

PRIMARY

Related Record Type Details


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CABAZITAXEL

PARENT -> METABOLITE ACTIVE

Comments:

by the CYP3A4/5 isoenzyme

Amount: