UCSF

ZINC16343331

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 26th, 2008 17 No

Popular Name: Proguanil Proguanil

Find On: PubMed — Wikipedia — Google

CAS Numbers: 500-92-5 , 637-32-1 , [500-92-5] , [637-32-1]

Other Names:

(1E)-1-[amino-(4-chloroanilino)methylidene]-2-propan-2-ylguanidine

(hydrochloride)

1-(4-chlorophenyl)-5-isopropylbiguanide hydrochloride

1-(p-Chlorophenyl)-5-isopropylbiguanide

1-(p-Chlorophenyl)-5-isopropylbiguanide hydrochloride

1-(p-Chlorophenyl)-5-isopropylbiguanide hydrochloride; 3359 RP; 336U50; Atovaquone, Proguanil Hydrochloride; Biguanide, 1-(p-chlorophenyl)-5-isopropyl-, monohydrochloride; Bigumalum; C11H16ClN5.HCl; Chlorguanide hydrochloride; Chloroguanide hydrochloride

1-Isopropyl-5-(4-chlorophenyl)biguanide

336U50; GWAH7673A

4-12-00-01198 (Beilstein Handbook Reference)

46920-30-3

500-92-5

500-92-5; C07631; Chloroguanide; N-(4-Chlorophenyl)-N'-(isopropyl)-imidodicarbonimidic diamide; Proguanil

500-92-5; D08428; Proguanil (INN)

637-32-1

637-32-1 (HYDROCHLORIDE)

637-32-1; Chloroguanide hydrochloride; D02487; Paludrine (TN); Proguanil hydrochloride (JAN)

AB00053776

AC1O1QGA

BAN

BIDD:GT0576

BIGUANIDE, 1-(p-CHLOROPHENYL)-5-ISOPROPYL-

Biguanide, 1-(p-chlorophenyl)-5-isopropyl-, monoacetate; LS-43873; Paludrine monoacetate; Proguanil acetate

Bigumal

BPBio1_001207

BRD-K28183345-003-05-6

BRN 2811599

BSPBio_001097

BSPBio_003417

C11H16ClN5

CAS-637-32-1

CHEBI:8455

CHEMBL1377

Chlorguanid

Chlorguanide

chlorguanide hydrochloride

Chloriguane

Chloroguanide

CHLOROGUANIDE HYDROCHLORIDE

Chloroguanide Hydrochloride (USP); Proguanil Hydrochloride (FDA); Proguanil (BAN

CID6178111

DAP000634

DAP000866

DB01131

DCF

DCF); Chloroguanide HCl (USP); Proguanil HCl (FDA

DCF); Chloroguanide HCl (USP); Proguanil HCl (FDA)

Diguanyl (hydrochloride)

DivK1c_006763

Drinupal (hydrochloride)

EINECS 207-915-6

Imidodicarbonimidic diamide, N-(4-chlorophenyl)-N'-(1-methylethyl)-

INN)

KBio1_001707

KBio2_002068

KBio2_004636

KBio2_007204

KBio3_002637

KBioGR_001204

KBioSS_002068

LS-190317

LS-43869

M-4888 (hydrochloride)

MFCD00866201

MFCD01732193

N-(4-Chlorophenyl)-N'-(1-methylethyl)imidodicarbonimidic diamide

N-(4-Chlorophenyl)-N'-(isopropyl)-imidodicarbonimidic diamide

N-(4-Chlorophenyl)-N'-(isopropyl)-imidodicarbonimidic diamide; 1-(p-chlorophenyl)-5-isopropylbiguanide; Chlorguanide; Chloroguanide; Proguanil

N-(4-chlorophenyl)-N'-(propan-2-yl)imidodicarbonimidic diamide

N1-p-Chlorophenyl-N5-isopropylbiguanide

NCGC00016528-01

NCGC00016528-02

NCGC00016528-03

NSC12977

Paludrin

Paludrine

Paludrine (hydrochloride)

Palusil (hydrochloride)

Prestwick0_000999

Prestwick1_000999

Prestwick2_000999

Prestwick3_000999

Proguanil (INN

Proguanil chloride

Proguanil D6

Proguanil Hydrochloride

Proguanil [INN:BAN]

proguanil; proguanilum

Proguanile

Proguanile [DCIT]

Proguanilum

Proguanilum [INN-Latin]

RP-3359

SN-12837 (hydrochloride)

SPBio_001029

SPBio_002988

SpecPlus_000667

Spectrum2_001135

Spectrum3_001659

Spectrum4_000622

Spectrum5_001384

Spectrum_001588

Sulodexide

Tirian (hydrochloride)

UNII-S61K3P7B2V

USAN)

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.05 7.17 -5.35 6 5 0 86 254.745 6 ↓
Ref Reference (pH 7) 1.92 8.12 -9.06 5 5 0 86 253.737 5 ↓
Mid Mid (pH 6-8) 2.05 8.67 -5.21 5 5 0 84 253.737 6 ↓
Mid Mid (pH 6-8) 2.05 7.48 -5.59 5 5 0 84 253.737 6 ↓
Lo Low (pH 4.5-6) 1.92 7.62 -16.33 6 5 0 88 254.745 5 ↓
Lo Low (pH 4.5-6) 1.92 7.66 -4.79 5 5 0 86 253.737 5 ↓
Lo Low (pH 4.5-6) 1.92 8 -3.85 5 5 0 86 253.737 5 ↓
Lo Low (pH 4.5-6) 1.92 8.29 -32.64 6 5 1 88 254.745 5 ↓
Lo Low (pH 4.5-6) 1.92 8.33 -5.75 5 5 0 86 253.737 5 ↓

Vendor Notes

Note Type Comments Provided By
ALOGPS_SOLUBILITY 2.86e-01 g/l DrugBank-approved
Therapy antimalarial SMDC MicroSource
UniProt Database Links CP2CJ_HUMAN ChEBI

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )