DOCARPAMINE

U.S. Department of Health & Human Services Divider Arrow

National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C21H30N2O8S
Molecular Weight	470.537
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of DOCARPAMINE

Structure Search

SMILES

CCOC(=O)OC1=C(OC(=O)OCC)C=C(CCNC(=O)[C@H](CCSC)NC(C)=O)C=C1

InChI

InChIKey=ZLVMAMIPILWYHQ-INIZCTEOSA-N

InChI=1S/C21H30N2O8S/c1-5-28-20(26)30-17-8-7-15(13-18(17)31-21(27)29-6-2)9-11-22-19(25)16(10-12-32-4)23-14(3)24/h7-8,13,16H,5-6,9-12H2,1-4H3,(H,22,25)(H,23,24)/t16-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C21H30N2O8S
Molecular Weight	470.537
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 `Fri Dec 15 15:28:30 UTC 2023` Edited by `admin` on `Fri Dec 15 15:28:30 UTC 2023`
Record UNII	RPQ57D8S72
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

DOCARPAMINE

Official Name

English

DOCARPAMINE [JAN]

Common Name

English

DOCARPAMINE [MART.]

Common Name

English

TANADOPA

Brand Name

English

(-)-(S)-2-ACETAMIDO-N-(3,4-DIHYDROXYPHENETHYL)-4-(METHYLTHIO)BUTYRAMIDE BIS(ETHYL CARBONATE) (ESTER)

Common Name

English

DOCARPAMINE [MI]

Common Name

English

docarpamine [INN]

Common Name

English

Docarpamine [WHO-DD]

Common Name

English

TA-870

Code

English

Classification Tree Code System Code

FDA ORPHAN DRUG

701519

Created by admin on Fri Dec 15 15:28:30 UTC 2023 , Edited by admin on Fri Dec 15 15:28:30 UTC 2023

NCI_THESAURUS

C66884

Created by admin on Fri Dec 15 15:28:30 UTC 2023 , Edited by admin on Fri Dec 15 15:28:30 UTC 2023

Code System Code Type Description

MESH

C052143

Created by admin on Fri Dec 15 15:28:30 UTC 2023 , Edited by admin on Fri Dec 15 15:28:30 UTC 2023

PRIMARY

CAS

74639-40-0

Created by admin on Fri Dec 15 15:28:30 UTC 2023 , Edited by admin on Fri Dec 15 15:28:30 UTC 2023

PRIMARY

DRUG CENTRAL

938

Created by admin on Fri Dec 15 15:28:30 UTC 2023 , Edited by admin on Fri Dec 15 15:28:30 UTC 2023

PRIMARY

ChEMBL

CHEMBL2106351

Created by admin on Fri Dec 15 15:28:30 UTC 2023 , Edited by admin on Fri Dec 15 15:28:30 UTC 2023

PRIMARY

MERCK INDEX

m4711

Created by admin on Fri Dec 15 15:28:30 UTC 2023 , Edited by admin on Fri Dec 15 15:28:30 UTC 2023

PRIMARY

Merck Index

EPA CompTox

DTXSID1057820

Created by admin on Fri Dec 15 15:28:30 UTC 2023 , Edited by admin on Fri Dec 15 15:28:30 UTC 2023

PRIMARY

EVMPD

SUB06344MIG

Created by admin on Fri Dec 15 15:28:30 UTC 2023 , Edited by admin on Fri Dec 15 15:28:30 UTC 2023

PRIMARY

FDA UNII

RPQ57D8S72

Created by admin on Fri Dec 15 15:28:30 UTC 2023 , Edited by admin on Fri Dec 15 15:28:30 UTC 2023

PRIMARY

PUBCHEM

71137

Created by admin on Fri Dec 15 15:28:30 UTC 2023 , Edited by admin on Fri Dec 15 15:28:30 UTC 2023

PRIMARY

INN

6258

Created by admin on Fri Dec 15 15:28:30 UTC 2023 , Edited by admin on Fri Dec 15 15:28:30 UTC 2023

PRIMARY

NCI_THESAURUS

C65453

Created by admin on Fri Dec 15 15:28:30 UTC 2023 , Edited by admin on Fri Dec 15 15:28:30 UTC 2023

PRIMARY

SMS_ID

100000081864

Created by admin on Fri Dec 15 15:28:30 UTC 2023 , Edited by admin on Fri Dec 15 15:28:30 UTC 2023

PRIMARY

Related Record Type Details


					X77S6GMS36

HOMOVANILLIC ACID

METABOLITE -> PARENT

Qualification:

PLASMA; URINE


					VTD58H1Z2X

DOPAMINE

METABOLITE ACTIVE -> PRODRUG

Qualification:

PLASMA; URINE

Amount:


					KEX5N0R4N5

3,4-DIHYDROXYPHENYLACETIC ACID

METABOLITE -> PARENT

Qualification:

PLASMA; URINE


					V87I081SWP

METABOLITE -> PARENT

Qualification:

PLASMA; URINE

Related Record Type Details


					RPQ57D8S72

ACTIVE MOIETY