Compound Summary


2113-05-5
  Compound Information
 2113-05-5

Compound Name:

2113-05-5

Compound CID:

2730228

Synonyms:

2113-05-5

1-(3-Chlorophenyl)biguanide hydrochloride

m-chlorophenylbiguanide hydrochloride

m-Chlorophenylbiguanide HCl

1-(m-Chlorophenyl)-biguanide hydrochloride

More...

Iupac Name:

2-(3-chlorophenyl)-1-(diaminomethylidene)guanidine;hydrochloride

InChI:

InChI=1S/C8H10ClN5.ClH/c9-5-2-1-3-6(4-5)13-8(12)14-7(10)11;/h1-4H,(H6,10,11,12,13,14);1H

InChIKey:

FOWAIJYHRWFTHR-UHFFFAOYSA-N

Canonical Smiles:

C1=CC(=CC(=C1)Cl)N=C(N)N=C(N)N.Cl

Isomeric Smiles:

C1=CC(=CC(=C1)Cl)N=C(N)N=C(N)N.Cl

Molecular Weight:

248.11

Molecular Formula:

C8H11Cl2N5

  Compound Structure
 2D Structure:
 3D Structure:
  Computed Properties
 2113-05-5

Molecular Weight:

248.11

Molecular Formula:

C8H11Cl2N5

Hydrogen Bond Donor Count:

4

Hydrogen Bond Acceptor Count:

1

Rotatable Bond Count:

2

Heavy Atom Count:

15

Complexity:

246

  Synonyms
 2113-05-5

2113-05-5 2113-05-5

2113-05-5

1-(3-Chlorophenyl)biguanide hydrochloride

m-chlorophenylbiguanide hydrochloride

m-Chlorophenylbiguanide HCl

1-(m-Chlorophenyl)-biguanide hydrochloride

1-(3-CHLOROPHENYL)BIGUANIDE HCL

m-CPBG hydrochloride

mCPBG (hydrochloride)

MFCD00053019

Imidodicarbonimidic diamide, N-(3-chlorophenyl)-, monohydrochloride

1-(m-Chlorophenyl)biguanide hydrochloride

1-carbamimidamido-N-(3-chlorophenyl)methanimidamide hydrochloride

N-m-Chlorophenylbiguanide hydrochloride

SR-01000075547

N-(3-Chlorophenyl)imidodicarbonimidic diamide hydrochloride

N-(3-Chlorophenyl)-imidodicarbonimidic diamide monohydrochloride

ACMC-20apbq

EU-0100343

MLS001056739

SCHEMBL1320574

CHEMBL1256027

Tox21_500343

Imidodicarbonimidic diamide, N-(3-chlorophenyl)-, hydrochloride (1:1)

NSC210906

SBB100366

AKOS023093273

CCG-221647

LP00343

MCULE-2237141498

NSC-210906

PS-7507

VZ20899

NCGC00093781-01

NCGC00261028-01

SMR000326726

B6306

C-144

FT-0634040

ST50825927

F16007

1-(3-Chlorophenyl)biguanide hydrochloride, solid

A924420

J-013867

SR-01000075547-1

SR-01000075547-3

amino{(3-chlorophenyl)aminoiminomethyl}carboxamidine, chloride

  Experimental Data
 2113-05-5

Species Dose Unit Control(Avg days) Treatment(Avg days) Avg/Med Lifespan Change(%) Control(Max days) Treatment(Max days) Max Lifespan Change(%) Significant Strain Gender PubMed Avg/Med Lifespan Change tab
Caenorhabditis elegans 33.000000000000000 umol/L 10.000000000000000 NS N2 24134630 Inactive
  Experimental Data Visualization
 2113-05-5

  Statistics Data
 2113-05-5

Species Avg/Med Lifespan Change(%) Max Lifespan Change(%) Count Reference Count Data point
Caenorhabditis elegans 10.000000000000000 1 1
  Statistics Data Visualization
 2113-05-5