ISOMETAMIDIUM CHLORIDE

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

National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C28H26N7.Cl
Molecular Weight	496.006
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure of ISOMETAMIDIUM CHLORIDE

Structure Search

SMILES

[Cl-].CC[N+]1=C(C2=CC=CC=C2)C3=C(C=CC(N\N=N\C4=CC(=CC=C4)C(N)=N)=C3)C5=CC=C(N)C=C15

InChI

InChIKey=QNZJTSGALAVCLH-UHFFFAOYSA-N

InChI=1S/C28H25N7.ClH/c1-2-35-26-16-20(29)11-13-24(26)23-14-12-22(17-25(23)27(35)18-7-4-3-5-8-18)33-34-32-21-10-6-9-19(15-21)28(30)31;/h3-17,29H,2H2,1H3,(H4,30,31,32,33);1H

HIDE SMILES / InChI

Molecular Formula	C28H25N7
Molecular Weight	459.545
Charge	0
Count

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

Molecular Formula	ClH
Molecular Weight	36.461
Charge	0
Count

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

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 16:08:16 UTC 2023` Edited by `admin` on `Fri Dec 15 16:08:16 UTC 2023`
Record UNII	7NH28I651F
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

ISOMETAMIDIUM CHLORIDE

Official Name

English

isometamidium chloride [INN]

Common Name

English

A-4180

Code

English

8-(3-(M-AMIDINOPHENYL)-2-TRIAZENO)-3-AMINO-5-ETHYL-6-PHENYLPHENANTHRIDINIUM CHLORIDE

Systematic Name

English

ISOMETAMIDIUM CHLORIDE [MART.]

Common Name

English

ISOMETAMIDIUM CHLORIDE [MI]

Common Name

English

Classification Tree Code System Code

NCI_THESAURUS

C250

Created by admin on Fri Dec 15 16:08:16 UTC 2023 , Edited by admin on Fri Dec 15 16:08:16 UTC 2023

Code System Code Type Description

NCI_THESAURUS

C72158

Created by admin on Fri Dec 15 16:08:16 UTC 2023 , Edited by admin on Fri Dec 15 16:08:16 UTC 2023

PRIMARY

ECHA (EC/EINECS)

251-926-9

Created by admin on Fri Dec 15 16:08:16 UTC 2023 , Edited by admin on Fri Dec 15 16:08:16 UTC 2023

PRIMARY

EVMPD

SUB08322MIG

Created by admin on Fri Dec 15 16:08:16 UTC 2023 , Edited by admin on Fri Dec 15 16:08:16 UTC 2023

PRIMARY

ChEMBL

CHEMBL2111043

Created by admin on Fri Dec 15 16:08:16 UTC 2023 , Edited by admin on Fri Dec 15 16:08:16 UTC 2023

PRIMARY

EPA CompTox

DTXSID10955855

Created by admin on Fri Dec 15 16:08:16 UTC 2023 , Edited by admin on Fri Dec 15 16:08:16 UTC 2023

PRIMARY

SMS_ID

100000082811

Created by admin on Fri Dec 15 16:08:16 UTC 2023 , Edited by admin on Fri Dec 15 16:08:16 UTC 2023

PRIMARY

WIKIPEDIA

Isometamidium chloride

Created by admin on Fri Dec 15 16:08:16 UTC 2023 , Edited by admin on Fri Dec 15 16:08:16 UTC 2023

PRIMARY

MESH

C000702

Created by admin on Fri Dec 15 16:08:16 UTC 2023 , Edited by admin on Fri Dec 15 16:08:16 UTC 2023

PRIMARY

FDA UNII

7NH28I651F

Created by admin on Fri Dec 15 16:08:16 UTC 2023 , Edited by admin on Fri Dec 15 16:08:16 UTC 2023

PRIMARY

INN

2272

Created by admin on Fri Dec 15 16:08:16 UTC 2023 , Edited by admin on Fri Dec 15 16:08:16 UTC 2023

PRIMARY

MERCK INDEX

m6499

Created by admin on Fri Dec 15 16:08:16 UTC 2023 , Edited by admin on Fri Dec 15 16:08:16 UTC 2023

PRIMARY

Merck Index

CAS

34301-55-8

Created by admin on Fri Dec 15 16:08:16 UTC 2023 , Edited by admin on Fri Dec 15 16:08:16 UTC 2023

PRIMARY

PUBCHEM

92295

Created by admin on Fri Dec 15 16:08:16 UTC 2023 , Edited by admin on Fri Dec 15 16:08:16 UTC 2023

PRIMARY

Related Record Type Details


					S9HA0WUW3H

PARENT -> SALT/SOLVATE

Related Record Type Details


					S9HA0WUW3H

ACTIVE MOIETY