DEC-TA 870

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C15H22N2O4S
Molecular Weight	326.411
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CSCC[C@H](NC(C)=O)C(=O)NCCC1=CC(O)=C(O)C=C1

InChI

InChIKey=QCDZESBHHYRZDC-LBPRGKRZSA-N

InChI=1S/C15H22N2O4S/c1-10(18)17-12(6-8-22-2)15(21)16-7-5-11-3-4-13(19)14(20)9-11/h3-4,9,12,19-20H,5-8H2,1-2H3,(H,16,21)(H,17,18)/t12-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C15H22N2O4S
Molecular Weight	326.411
Charge	0
Count

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

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 17:35:40 UTC 2023` Edited by `admin` on `Sat Dec 16 17:35:40 UTC 2023`
Record UNII	V87I081SWP
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

DEC-TA 870

Code

English

BUTANAMIDE, 2-(ACETYLAMINO)-N-(2-(3,4-DIHYDROXYPHENYL)ETHYL)-4-(METHYLTHIO)-, (2S)-

Systematic Name

English

(2S)-2-(ACETYLAMINO)-N-(2-(3,4-DIHYDROXYPHENYL)ETHYL)-4-(METHYLTHIO)BUTANAMIDE

Systematic Name

English

DEC-TA-870

Code

English

BUTANAMIDE, 2-(ACETYLAMINO)-N-(2-(3,4-DIHYDROXYPHENYL)ETHYL)-4-(METHYLTHIO)-, (S)-

Systematic Name

English

Code System Code Type Description

PUBCHEM

22812625

Created by admin on Sat Dec 16 17:35:40 UTC 2023 , Edited by admin on Sat Dec 16 17:35:40 UTC 2023

PRIMARY

CAS

122570-36-9

Created by admin on Sat Dec 16 17:35:40 UTC 2023 , Edited by admin on Sat Dec 16 17:35:40 UTC 2023

PRIMARY

FDA UNII

V87I081SWP

Created by admin on Sat Dec 16 17:35:40 UTC 2023 , Edited by admin on Sat Dec 16 17:35:40 UTC 2023

PRIMARY

Related Record Type Details


					RPQ57D8S72

DOCARPAMINE

PARENT -> METABOLITE

Qualification:

PLASMA; URINE