REVATROPATE

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National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C19H27NO4S
Molecular Weight	365.487
Optical Activity	UNSPECIFIED
Defined Stereocenters	3 / 3
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of REVATROPATE

Structure Search

SMILES

C[S@@+]([O-])CC[C@](CO)(C(=O)O[C@H]1CN2CCC1CC2)C3=CC=CC=C3

InChI

InChIKey=VGXACJMXDYPFDB-SXMMONRFSA-N

InChI=1S/C19H27NO4S/c1-25(23)12-9-19(14-21,16-5-3-2-4-6-16)18(22)24-17-13-20-10-7-15(17)8-11-20/h2-6,15,17,21H,7-14H2,1H3/t17-,19+,25+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C19H27NO4S
Molecular Weight	365.487
Charge	0
Count

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

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 16:32:11 UTC 2023` Edited by `admin` on `Sat Dec 16 16:32:11 UTC 2023`
Record UNII	3W7L15V40W
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

REVATROPATE

Official Name

English

UK-112,166

Code

English

BENZENEACETIC ACID, .ALPHA.-(HYDROXYMETHYL)-.ALPHA.-(2-(METHYLSULFINYL)ETHYL)-, 1-AZABICYCLO(2.2.2)OCT-3-YL ESTER, (3R-(3R*(S*(R*))))-

Systematic Name

English

UK-112166

Code

English

BENZENEACETIC ACID, .ALPHA.-(HYDROXYMETHYL)-.ALPHA.-(2-((R)-METHYLSULFINYL)ETHYL)-, (3R)-1-AZABICYCLO(2.2.2)OCT-3-YL ESTER, (.ALPHA.S)-

Systematic Name

English

revatropate [INN]

Common Name

English

Classification Tree Code System Code

NCI_THESAURUS

C29704

Created by admin on Sat Dec 16 16:32:12 UTC 2023 , Edited by admin on Sat Dec 16 16:32:12 UTC 2023

Code System Code Type Description

SMS_ID

100000080574

Created by admin on Sat Dec 16 16:32:12 UTC 2023 , Edited by admin on Sat Dec 16 16:32:12 UTC 2023

PRIMARY

FDA UNII

3W7L15V40W

Created by admin on Sat Dec 16 16:32:12 UTC 2023 , Edited by admin on Sat Dec 16 16:32:12 UTC 2023

PRIMARY

PUBCHEM

9554797

Created by admin on Sat Dec 16 16:32:12 UTC 2023 , Edited by admin on Sat Dec 16 16:32:12 UTC 2023

PRIMARY

EVMPD

SUB10293MIG

Created by admin on Sat Dec 16 16:32:12 UTC 2023 , Edited by admin on Sat Dec 16 16:32:12 UTC 2023

PRIMARY

ChEMBL

CHEMBL2105235

Created by admin on Sat Dec 16 16:32:12 UTC 2023 , Edited by admin on Sat Dec 16 16:32:12 UTC 2023

PRIMARY

NCI_THESAURUS

C75283

Created by admin on Sat Dec 16 16:32:12 UTC 2023 , Edited by admin on Sat Dec 16 16:32:12 UTC 2023

PRIMARY

MESH

C105222

Created by admin on Sat Dec 16 16:32:12 UTC 2023 , Edited by admin on Sat Dec 16 16:32:12 UTC 2023

PRIMARY

INN

7425

Created by admin on Sat Dec 16 16:32:12 UTC 2023 , Edited by admin on Sat Dec 16 16:32:12 UTC 2023

PRIMARY

CAS

149926-91-0

Created by admin on Sat Dec 16 16:32:12 UTC 2023 , Edited by admin on Sat Dec 16 16:32:12 UTC 2023

PRIMARY

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