OSELTAMIVIR-1-CARBOXYLIC ACID

Details

Stereochemistry	EPIMERIC
Molecular Formula	C16H26N2O6
Molecular Weight	342.3874
Optical Activity	UNSPECIFIED
Defined Stereocenters	3 / 4
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of OSELTAMIVIR-1-CARBOXYLIC ACID

Structure Search

SMILES

[H][C@@]1(OC(CC)CC(O)=O)C=C(C[C@H](N)[C@H]1NC(C)=O)C(=O)OCC

InChI

InChIKey=KMXGOCVVPSPOMY-MDRSIWMVSA-N

InChI=1S/C16H26N2O6/c1-4-11(8-14(20)21)24-13-7-10(16(22)23-5-2)6-12(17)15(13)18-9(3)19/h7,11-13,15H,4-6,8,17H2,1-3H3,(H,18,19)(H,20,21)/t11?,12-,13+,15+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C16H26N2O6
Molecular Weight	342.3874
Charge	0
Count

Stereochemistry	EPIMERIC
Additional Stereochemistry	No
Defined Stereocenters	3 / 4
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 14:09:02 GMT 2023` Edited by `admin` on `Sat Dec 16 14:09:02 GMT 2023`
Record UNII	VM7P2DST6J
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

OSELTAMIVIR-1-CARBOXYLIC ACID

Common Name

English

3-((1R,5S,6R)-6-ACETAMIDO-5-AMINO-3-ETHOXYCARBONYL-CYCLOHEX-2-EN-1-YL)OXYPENTANOIC ACID

Systematic Name

English

1-CYCLOHEXENE-1-CARBOXYLIC ACID, 4-(ACETYLAMINO)-5-AMINO-3-(1-(CARBOXYMETHYL)PROPOXY)-, 1-ETHYL ESTER, (3R,4R,5S)-

Systematic Name

English

Code System Code Type Description

FDA UNII

VM7P2DST6J

Created by admin on Sat Dec 16 14:09:03 GMT 2023 , Edited by admin on Sat Dec 16 14:09:03 GMT 2023

PRIMARY

CAS

252191-16-5

Created by admin on Sat Dec 16 14:09:03 GMT 2023 , Edited by admin on Sat Dec 16 14:09:03 GMT 2023

PRIMARY

PUBCHEM

100939439

Created by admin on Sat Dec 16 14:09:03 GMT 2023 , Edited by admin on Sat Dec 16 14:09:03 GMT 2023

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Related Record Type Details


					20O93L6F9H

OSELTAMIVIR

PARENT -> METABOLITE

Comments:

Produced thru omega-oxidation.