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Guanidines

Guanidine is a compound with a carbon atom bonded to two nitrogen atoms via singles bonds, and one nitrogen atom via double bond in the following formula: HNC(NH2)2. Guanidine can be considered the nitrogen analogue of carbonic acid.
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1

1-(o-Tolyl)biguanide 97.0+%, TCI America™

CAS: 93-69-6 Molecular Formula: C9H13N5 Molecular Weight (g/mol): 191.238 MDL Number: MFCD00019731 InChI Key: SQZCAOHYQSOZCE-UHFFFAOYSA-N PubChem CID: 7155 IUPAC Name: 1-(diaminomethylidene)-2-(2-methylphenyl)guanidine SMILES: CC1=CC=CC=C1N=C(N)N=C(N)N

PubChem CID 7155
CAS 93-69-6
Molecular Weight (g/mol) 191.238
MDL Number MFCD00019731
SMILES CC1=CC=CC=C1N=C(N)N=C(N)N
IUPAC Name 1-(diaminomethylidene)-2-(2-methylphenyl)guanidine
InChI Key SQZCAOHYQSOZCE-UHFFFAOYSA-N
Molecular Formula C9H13N5
2

Moroxydine Hydrochloride 98.0+%, TCI America™

CAS: 3160-91-6 Molecular Formula: C6H14ClN5O Molecular Weight (g/mol): 207.662 MDL Number: MFCD00012798 InChI Key: FXYZDFSNBBOHTA-UHFFFAOYSA-N Synonym: 1-Morpholinobiguanide Hydrochloride PubChem CID: 76621 IUPAC Name: N-(diaminomethylidene)morpholine-4-carboximidamide;hydrochloride SMILES: C1COCCN1C(=N)N=C(N)N.Cl

PubChem CID 76621
CAS 3160-91-6
Molecular Weight (g/mol) 207.662
MDL Number MFCD00012798
SMILES C1COCCN1C(=N)N=C(N)N.Cl
Synonym 1-Morpholinobiguanide Hydrochloride
IUPAC Name N-(diaminomethylidene)morpholine-4-carboximidamide;hydrochloride
InChI Key FXYZDFSNBBOHTA-UHFFFAOYSA-N
Molecular Formula C6H14ClN5O
3

Chlorhexidine Gluconate Solution, BP, 19-21%, Spectrum™ Chemical
SDP

CAS: 18472-51-0 Molecular Formula: C34H54Cl2N10O14 Molecular Weight (g/mol): 897.76 MDL Number: MFCD00083599 InChI Key: YZIYKJHYYHPJIB-UUPCJSQJSA-N IUPAC Name: bis((2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoic acid); N'-(6-{[amino({amino[(4-chlorophenyl)amino]methylidene}amino)methylidene]amino}hexyl)-1-({amino[(4-chlorophenyl)amino]methylidene}amino)methanimidamide SMILES: OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C(O)=O.OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C(O)=O.NC(NC1=CC=C(Cl)C=C1)=NC(N)=NCCCCCCN=C(N)N=C(N)NC1=CC=C(Cl)C=C1

CAS 18472-51-0
Molecular Weight (g/mol) 897.76
MDL Number MFCD00083599
SMILES OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C(O)=O.OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C(O)=O.NC(NC1=CC=C(Cl)C=C1)=NC(N)=NCCCCCCN=C(N)N=C(N)NC1=CC=C(Cl)C=C1
IUPAC Name bis((2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoic acid); N'-(6-{[amino({amino[(4-chlorophenyl)amino]methylidene}amino)methylidene]amino}hexyl)-1-({amino[(4-chlorophenyl)amino]methylidene}amino)methanimidamide
InChI Key YZIYKJHYYHPJIB-UUPCJSQJSA-N
Molecular Formula C34H54Cl2N10O14
4

1,1-Dimethylbiguanide Hydrochloride, MP Biomedicals™

CAS: 1115-70-4 Molecular Formula: C4H12ClN5 Molecular Weight (g/mol): 165.63 MDL Number: MFCD00012582 InChI Key: OETHQSJEHLVLGH-UHFFFAOYSA-N PubChem CID: 14219 IUPAC Name: hydrogen 1-[(diaminomethylidene)amino]-N,N-dimethylmethanimidamide chloride SMILES: [H+].[Cl-].CN(C)C(=N)N=C(N)N

PubChem CID 14219
CAS 1115-70-4
Molecular Weight (g/mol) 165.63
MDL Number MFCD00012582
SMILES [H+].[Cl-].CN(C)C(=N)N=C(N)N
IUPAC Name hydrogen 1-[(diaminomethylidene)amino]-N,N-dimethylmethanimidamide chloride
InChI Key OETHQSJEHLVLGH-UHFFFAOYSA-N
Molecular Formula C4H12ClN5
5

Chlorhexidine Digluconate Aqueous Solution 0.2 MP Biomedicals

CAS: 18472-51-0 Molecular Formula: C34H54Cl2N10O14 Molecular Weight (g/mol): 897.76 MDL Number: MFCD00083599 InChI Key: YZIYKJHYYHPJIB-UUPCJSQJSA-N Synonym: peridex,periogard,chlorhexidine gluconate,1,1'-hexamethylene bis 5-p-chlorophenyl biguanide di-d-gluconate PubChem CID: 60148207 SMILES: OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C(O)=O.OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C(O)=O.NC(NC1=CC=C(Cl)C=C1)=NC(N)=NCCCCCCN=C(N)N=C(N)NC1=CC=C(Cl)C=C1

PubChem CID 60148207
CAS 18472-51-0
Molecular Weight (g/mol) 897.76
MDL Number MFCD00083599
SMILES OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C(O)=O.OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C(O)=O.NC(NC1=CC=C(Cl)C=C1)=NC(N)=NCCCCCCN=C(N)N=C(N)NC1=CC=C(Cl)C=C1
Synonym peridex,periogard,chlorhexidine gluconate,1,1'-hexamethylene bis 5-p-chlorophenyl biguanide di-d-gluconate
InChI Key YZIYKJHYYHPJIB-UUPCJSQJSA-N
Molecular Formula C34H54Cl2N10O14
6

Chlorhexidine Digluconate Aqueous Solution 0.2 MP Biomedicals

CAS: 18472-51-0 Molecular Formula: C34H54Cl2N10O14 Molecular Weight (g/mol): 897.76 MDL Number: MFCD00083599 InChI Key: YZIYKJHYYHPJIB-UUPCJSQJSA-N Synonym: peridex,periogard,chlorhexidine gluconate,1,1'-hexamethylene bis 5-p-chlorophenyl biguanide di-d-gluconate PubChem CID: 60148207 IUPAC Name: bis((2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoic acid); N'-(6-{[amino({amino[(4-chlorophenyl)amino]methylidene}amino)methylidene]amino}hexyl)-1-({amino[(4-chlorophenyl)amino]methylidene}amino)methanimidamide SMILES: OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C(O)=O.OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C(O)=O.NC(NC1=CC=C(Cl)C=C1)=NC(N)=NCCCCCCN=C(N)N=C(N)NC1=CC=C(Cl)C=C1

PubChem CID 60148207
CAS 18472-51-0
Molecular Weight (g/mol) 897.76
MDL Number MFCD00083599
SMILES OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C(O)=O.OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C(O)=O.NC(NC1=CC=C(Cl)C=C1)=NC(N)=NCCCCCCN=C(N)N=C(N)NC1=CC=C(Cl)C=C1
Synonym peridex,periogard,chlorhexidine gluconate,1,1'-hexamethylene bis 5-p-chlorophenyl biguanide di-d-gluconate
IUPAC Name bis((2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoic acid); N'-(6-{[amino({amino[(4-chlorophenyl)amino]methylidene}amino)methylidene]amino}hexyl)-1-({amino[(4-chlorophenyl)amino]methylidene}amino)methanimidamide
InChI Key YZIYKJHYYHPJIB-UUPCJSQJSA-N
Molecular Formula C34H54Cl2N10O14
7

1,1-Dimethylbiguanide hydrochloride

CAS: 1115-70-4 Molecular Formula: C4H12ClN5 Molecular Weight (g/mol): 165.63 MDL Number: MFCD00012582 InChI Key: OETHQSJEHLVLGH-UHFFFAOYSA-N Synonym: metformin hydrochloride,1,1-dimethylbiguanide hydrochloride,metformin hcl,glucophage,riomet,diabefagos,meguan,metformin monohydrochloride,benofomin,denkaform PubChem CID: 14219 IUPAC Name: hydrogen 1-[(diaminomethylidene)amino]-N,N-dimethylmethanimidamide chloride SMILES: [H+].[Cl-].CN(C)C(=N)N=C(N)N

PubChem CID 14219
CAS 1115-70-4
Molecular Weight (g/mol) 165.63
MDL Number MFCD00012582
SMILES [H+].[Cl-].CN(C)C(=N)N=C(N)N
Synonym metformin hydrochloride,1,1-dimethylbiguanide hydrochloride,metformin hcl,glucophage,riomet,diabefagos,meguan,metformin monohydrochloride,benofomin,denkaform
IUPAC Name hydrogen 1-[(diaminomethylidene)amino]-N,N-dimethylmethanimidamide chloride
InChI Key OETHQSJEHLVLGH-UHFFFAOYSA-N
Molecular Formula C4H12ClN5
8

Chlorhexidine digluconate, 20% w/v aq. soln., non-sterile

CAS: 18472-51-0 Molecular Formula: C34H54Cl2N10O14 Molecular Weight (g/mol): 897.76 MDL Number: MFCD00083599 InChI Key: YZIYKJHYYHPJIB-UUPCJSQJSA-N Synonym: peridex,periogard,chlorhexidine gluconate,1,1'-hexamethylene bis 5-p-chlorophenyl biguanide di-d-gluconate PubChem CID: 60148207 IUPAC Name: (1E)-2-[6-[[amino-[(E)-[amino-(4-chloroanilino)methylidene]amino]methylidene]amino]hexyl]-1-[amino-(4-chloroanilino)methylidene]guanidine;(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoic acid;sulfane SMILES: OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C(O)=O.OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C(O)=O.NC(NC1=CC=C(Cl)C=C1)=NC(N)=NCCCCCCN=C(N)N=C(N)NC1=CC=C(Cl)C=C1

PubChem CID 60148207
CAS 18472-51-0
Molecular Weight (g/mol) 897.76
MDL Number MFCD00083599
SMILES OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C(O)=O.OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C(O)=O.NC(NC1=CC=C(Cl)C=C1)=NC(N)=NCCCCCCN=C(N)N=C(N)NC1=CC=C(Cl)C=C1
Synonym peridex,periogard,chlorhexidine gluconate,1,1'-hexamethylene bis 5-p-chlorophenyl biguanide di-d-gluconate
IUPAC Name (1E)-2-[6-[[amino-[(E)-[amino-(4-chloroanilino)methylidene]amino]methylidene]amino]hexyl]-1-[amino-(4-chloroanilino)methylidene]guanidine;(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoic acid;sulfane
InChI Key YZIYKJHYYHPJIB-UUPCJSQJSA-N
Molecular Formula C34H54Cl2N10O14
9

1,1-Dimethylbiguanide hydrochloride, 97%

CAS: 1115-70-4 Molecular Formula: C4H12ClN5 Molecular Weight (g/mol): 165.63 MDL Number: MFCD00012582 InChI Key: OETHQSJEHLVLGH-UHFFFAOYSA-N Synonym: metformin hydrochloride,1,1-dimethylbiguanide hydrochloride,metformin hcl,glucophage,riomet,diabefagos,meguan,metformin monohydrochloride,benofomin,denkaform PubChem CID: 14219 IUPAC Name: 3-(diaminomethylidene)-1,1-dimethylguanidine;hydrochloride SMILES: [H+].[Cl-].CN(C)C(=N)N=C(N)N

PubChem CID 14219
CAS 1115-70-4
Molecular Weight (g/mol) 165.63
MDL Number MFCD00012582
SMILES [H+].[Cl-].CN(C)C(=N)N=C(N)N
Synonym metformin hydrochloride,1,1-dimethylbiguanide hydrochloride,metformin hcl,glucophage,riomet,diabefagos,meguan,metformin monohydrochloride,benofomin,denkaform
IUPAC Name 3-(diaminomethylidene)-1,1-dimethylguanidine;hydrochloride
InChI Key OETHQSJEHLVLGH-UHFFFAOYSA-N
Molecular Formula C4H12ClN5
10

Sigma Aldrich 1,1-Dimethylbiguanide hydrochloride

MilliporeSigma Sigma Organics products encompass a wide range of quality reagents, solvents, catalysts, and building blocks for organic synthesis. From benchtop discovery to process development and scale-up, Sigma Organics solutions are built to meet the needs of synthetic chemists.

ENCOMPASS ENCOMPASS_PREFERRED
CAS 1115-70-4
11

Sigma Aldrich Chlorhexidine dihydrochloride

MilliporeSigma Sigma Organics products encompass a wide range of quality reagents, solvents, catalysts, and building blocks for organic synthesis. From benchtop discovery to process development and scale-up, Sigma Organics solutions are built to meet the needs of synthetic chemists.

ENCOMPASS ENCOMPASS_PREFERRED
Percent Purity ≥98%
Linear Formula C22H30Cl2N10 -+ 2 HCl
CAS 3697-42-5
Molecular Weight (g/mol) 578.37
MDL Number MFCD00068998
Synonym 1,6-Bis(N5-[p-chlorophenyl]-N1-biguanido)hexane; 1,1 -Hexamethylenebis(5-[p-chlorophenyl]biguanide); Lisi
RTECS Number XA5285000
Recommended Storage 2°C to 8°C
Molecular Formula C22H30Cl2N10 -+ 2 HCl
EINECS Number 223-026-6
12

Medchemexpress LLC 4-(2,6-dioxo-1-propyl-1,2,3,6-tetrahydropurin-8-yl)benzene-1-sulfonic acid | 152529-79-8 | >=98.0% | 350.35 g/mol | C14H14N4O5S | 25 MG
SDP

PSB-1115 is a research-grade, selective A2B adenosine receptor antagonist used as a tool compound in pharmacology and receptor signaling studies.

  • Selective A2B adenosine receptor antagonist.
  • Intended for research and analytical applications.
  • CAS number 152529-79-8.
  • Molecular formula C14H14N4O5S.
  • Molecular weight 350.35 g/mol.
  • Recommended storage: -20°C, protect from light; in solvent: -80°C (6 months), -20°C (1 month).
  • Supplied in small quantities suitable for analytical use.

ENCOMPASS_PREFERRED
13

Apexbio Technology LLC PSB 1115 152529-79-8 10mg
SDP

PSB 1115 is a selective antagonist targeting the human A2B adenosine receptor It is designed to inhibit receptor-mediated signaling pathways associated with adenosine receptors thereby regulating processes related to inflammation and immune response PSB 1115 exerts its biological activity primarily through antagonism of the A2B adenosine receptor In experimental studies PSB 1115 demonstrates inhibition of acetylcholine-induced contractions triggered by 2 4 6-trinitrobenzene sulfonic acid (TNBS) a commonly used method in gastrointestinal inflammation research Based on these pharmacological properties PSB 1115 holds research potential in investigating inflammatory response immune regulation and mechanisms underlying inflammation-related disorders

ENCOMPASS_PREFERRED
14

Apexbio Technology LLC PSB 1115 152529-79-8 5mg
SDP

PSB 1115 is a selective antagonist targeting the human A2B adenosine receptor It is designed to inhibit receptor-mediated signaling pathways associated with adenosine receptors thereby regulating processes related to inflammation and immune response PSB 1115 exerts its biological activity primarily through antagonism of the A2B adenosine receptor In experimental studies PSB 1115 demonstrates inhibition of acetylcholine-induced contractions triggered by 2 4 6-trinitrobenzene sulfonic acid (TNBS) a commonly used method in gastrointestinal inflammation research Based on these pharmacological properties PSB 1115 holds research potential in investigating inflammatory response immune regulation and mechanisms underlying inflammation-related disorders

ENCOMPASS_PREFERRED
15

Medchemexpress LLC 4-(2,6-dioxo-1-propyl-1,2,3,6-tetrahydropurin-8-yl)benzene-1-sulfonic acid | 152529-79-8 | 99.0% | 350.35 g/mol | C14H14N4O5S | 10 MG
SDP

PSB-1115 is a selective A2B adenosine receptor antagonist for pharmacological research. It inhibits TNBS-induced acetylcholine contraction in vitro and antagonizes NECA-induced inhibition of mucociliary clearance in vivo.

  • Selective A2B adenosine receptor antagonist
  • Purity 99.0%
  • Molecular weight 350.35 g/mol
  • Chemical formula C14H14N4O5S
  • CAS number 152529-79-8
  • Solubility: DMSO 100 mg/mL; H2O 10 mg/mL
  • Storage: -20°C; in solvent -80°C (6 months)
  • Intended for research use only

ENCOMPASS_PREFERRED