DESMETHYLRANITIDINE

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C12H20N4O3S
Molecular Weight	300.377
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure of DESMETHYLRANITIDINE

Structure Search

SMILES

CNCC1=CC=C(CSCCNC(NC)=C[N+]([O-])=O)O1

InChI

InChIKey=WZLBVRXZNDXPPW-UHFFFAOYSA-N

InChI=1S/C12H20N4O3S/c1-13-7-10-3-4-11(19-10)9-20-6-5-15-12(14-2)8-16(17)18/h3-4,8,13-15H,5-7,9H2,1-2H3

HIDE SMILES / InChI

Molecular Formula	C12H20N4O3S
Molecular Weight	300.377
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 `Sat Dec 16 04:48:50 UTC 2023` Edited by `admin` on `Sat Dec 16 04:48:50 UTC 2023`
Record UNII	L0OF19OW3L
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

DESMETHYLRANITIDINE

Common Name

English

5-DESMETHYLRANITIDINE

Common Name

English

1,1-ETHENEDIAMINE, N-METHYL-N'-(2-(((5-((METHYLAMINO)METHYL)-2-FURANYL)METHYL)THIO)ETHYL)-2-NITRO-

Systematic Name

English

Code System Code Type Description

PUBCHEM

163116

Created by admin on Sat Dec 16 04:48:50 UTC 2023 , Edited by admin on Sat Dec 16 04:48:50 UTC 2023

PRIMARY

CHEBI

132051

Created by admin on Sat Dec 16 04:48:50 UTC 2023 , Edited by admin on Sat Dec 16 04:48:50 UTC 2023

PRIMARY

EPA CompTox

DTXSID601315703

Created by admin on Sat Dec 16 04:48:50 UTC 2023 , Edited by admin on Sat Dec 16 04:48:50 UTC 2023

PRIMARY

FDA UNII

L0OF19OW3L

Created by admin on Sat Dec 16 04:48:50 UTC 2023 , Edited by admin on Sat Dec 16 04:48:50 UTC 2023

PRIMARY

CAS

66357-25-3

Created by admin on Sat Dec 16 04:48:50 UTC 2023 , Edited by admin on Sat Dec 16 04:48:50 UTC 2023

PRIMARY

Related Record Type Details


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PARENT -> METABOLITE INACTIVE

Qualification:

URINE