LAFUTIDINE, (±)-

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

National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	RACEMIC
Molecular Formula	C22H29N3O4S
Molecular Weight	431.548
Optical Activity	( + / - )
Defined Stereocenters	0 / 1
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure of LAFUTIDINE, (±)-

Structure Search

SMILES

[O-][S+](CC(=O)NC\C=C/COC1=NC=CC(CN2CCCCC2)=C1)CC3=CC=CO3

InChI

InChIKey=KMZQAVXSMUKBPD-DJWKRKHSSA-N

InChI=1S/C22H29N3O4S/c26-21(18-30(27)17-20-7-6-14-28-20)23-9-2-5-13-29-22-15-19(8-10-24-22)16-25-11-3-1-4-12-25/h2,5-8,10,14-15H,1,3-4,9,11-13,16-18H2,(H,23,26)/b5-2-

HIDE SMILES / InChI

Molecular Formula	C22H29N3O4S
Molecular Weight	431.548
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	1
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 16:02:04 UTC 2023` Edited by `admin` on `Fri Dec 15 16:02:04 UTC 2023`
Record UNII	49S4O7ADLC
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

LAFUTIDINE, (±)-

Common Name

English

LAFUTIDINE [JAN]

Common Name

English

Lafutidine [WHO-DD]

Common Name

English

LAFUTIDINE [MART.]

Common Name

English

LAFUTIDINE

Official Name

English

(±)-2-(FURFURYLSULFINYL)-N-((Z)-4-((4-(PIPERIDINOMETHYL)-2-PYRIDYL)OXY)-2-BUTENYL) ACETAMIDE

Common Name

English

lafutidine [INN]

Common Name

English

Classification Tree Code System Code

NCI_THESAURUS

C29702

Created by admin on Fri Dec 15 16:02:04 UTC 2023 , Edited by admin on Fri Dec 15 16:02:04 UTC 2023

WHO-ATC

A02BA08

Created by admin on Fri Dec 15 16:02:04 UTC 2023 , Edited by admin on Fri Dec 15 16:02:04 UTC 2023

WHO-VATC

QA02BA08

Created by admin on Fri Dec 15 16:02:04 UTC 2023 , Edited by admin on Fri Dec 15 16:02:04 UTC 2023

Code System Code Type Description

DRUG BANK

DB12770

Created by admin on Fri Dec 15 16:02:04 UTC 2023 , Edited by admin on Fri Dec 15 16:02:04 UTC 2023

PRIMARY

PUBCHEM

5282136

Created by admin on Fri Dec 15 16:02:04 UTC 2023 , Edited by admin on Fri Dec 15 16:02:04 UTC 2023

PRIMARY

INN

7173

Created by admin on Fri Dec 15 16:02:04 UTC 2023 , Edited by admin on Fri Dec 15 16:02:04 UTC 2023

PRIMARY

DRUG CENTRAL

1537

Created by admin on Fri Dec 15 16:02:04 UTC 2023 , Edited by admin on Fri Dec 15 16:02:04 UTC 2023

PRIMARY

ChEMBL

CHEMBL1742461

Created by admin on Fri Dec 15 16:02:04 UTC 2023 , Edited by admin on Fri Dec 15 16:02:04 UTC 2023

PRIMARY

MESH

C076948

Created by admin on Fri Dec 15 16:02:04 UTC 2023 , Edited by admin on Fri Dec 15 16:02:04 UTC 2023

PRIMARY

CAS

206449-93-6

Created by admin on Fri Dec 15 16:02:04 UTC 2023 , Edited by admin on Fri Dec 15 16:02:04 UTC 2023

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SMS_ID

100000083101

Created by admin on Fri Dec 15 16:02:04 UTC 2023 , Edited by admin on Fri Dec 15 16:02:04 UTC 2023

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EVMPD

SUB08388MIG

Created by admin on Fri Dec 15 16:02:04 UTC 2023 , Edited by admin on Fri Dec 15 16:02:04 UTC 2023

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NCI_THESAURUS

C79117

Created by admin on Fri Dec 15 16:02:04 UTC 2023 , Edited by admin on Fri Dec 15 16:02:04 UTC 2023

PRIMARY

WIKIPEDIA

LAFUTIDINE

Created by admin on Fri Dec 15 16:02:04 UTC 2023 , Edited by admin on Fri Dec 15 16:02:04 UTC 2023

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FDA UNII

49S4O7ADLC

Created by admin on Fri Dec 15 16:02:04 UTC 2023 , Edited by admin on Fri Dec 15 16:02:04 UTC 2023

PRIMARY

Related Record Type Details


					XC55JSP2CX

HISTAMINE H2 RECEPTOR

TARGET -> INHIBITOR

Related Record Type Details


					49S4O7ADLC

LAFUTIDINE, (±)-

ACTIVE MOIETY