(2R)-2-AMINO-3-((1-(3-METHYL-1,1-DIOXO-1,4-THIAZINAN-4-YL)-6-OXO-3-PYRIDYL)SULFANYL)PROPANOIC ACID

Details

Stereochemistry	EPIMERIC
Molecular Formula	C13H19N3O5S2
Molecular Weight	361.437
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of (2R)-2-AMINO-3-((1-(3-METHYL-1,1-DIOXO-1,4-THIAZINAN-4-YL)-6-OXO-3-PYRIDYL)SULFANYL)PROPANOIC ACID

Structure Search

SMILES

CC1CS(=O)(=O)CCN1N2C=C(SC[C@H](N)C(O)=O)C=CC2=O

InChI

InChIKey=GCINRURSIXTZQM-UMJHXOGRSA-N

InChI=1S/C13H19N3O5S2/c1-9-8-23(20,21)5-4-15(9)16-6-10(2-3-12(16)17)22-7-11(14)13(18)19/h2-3,6,9,11H,4-5,7-8,14H2,1H3,(H,18,19)/t9?,11-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C13H19N3O5S2
Molecular Weight	361.437
Charge	0
Count

Stereochemistry	EPIMERIC
Additional Stereochemistry	No
Defined Stereocenters	1 / 2
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 18:05:15 GMT 2023` Edited by `admin` on `Sat Dec 16 18:05:15 GMT 2023`
Record UNII	HD16R816PW
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

(2R)-2-AMINO-3-((1-(3-METHYL-1,1-DIOXO-1,4-THIAZINAN-4-YL)-6-OXO-3-PYRIDYL)SULFANYL)PROPANOIC ACID

Systematic Name

English

NIFURTIMOX METABOLITE M-4

Common Name

English

Code System Code Type Description

FDA UNII

HD16R816PW

Created by admin on Sat Dec 16 18:05:16 GMT 2023 , Edited by admin on Sat Dec 16 18:05:16 GMT 2023

PRIMARY

PUBCHEM

165412066

Created by admin on Sat Dec 16 18:05:16 GMT 2023 , Edited by admin on Sat Dec 16 18:05:16 GMT 2023

PRIMARY

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Qualification:

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Amount:


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NIFURTIMOX

PARENT -> METABOLITE INACTIVE

Comments:

IN FASTED STATE

Qualification:

URINE

Amount:

Name	Property Type	Parameters
Tmax	PHARMACOKINETIC	SINGLE DOSE

Biological Half-life	PHARMACOKINETIC	SINGLE DOSE