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Proguanil hydrochloride

Proguanil hydrochloride structure

CAS No:
637-32-1
Formula:
C11H16ClN5.ClH
Chemical Name:
Proguanil hydrochloride
Synonyms:
Imidodicarbonimidic diamide,N-(4-chlorophenyl)-N′-(1-methylethyl)-,hydrochloride (1:1);Biguanide,1-(p-chlorophenyl)-5-isopropyl-,monohydrochloride;Imidodicarbonimidic diamide,N-(4-chlorophenyl)-N′-(1-methylethyl)-,monohydrochloride;3359 RP;M 4888;SN 12,837;Chloroguanide hydrochloride;1-(p-Chlorophenyl)-5-isopropylbiguanide hydrochloride;Diguanyl;Drinupal hydrochloride;Guanatol hydrochloride;Paludrine hydrochloride;Palusil hydrochloride;Proguanil hydrochloride;Tirian hydrochloride;Paludrine;Chloroquanil;Tirian;Drinupal;SN 12837;Palusil;RP 3359;Guanatol;1-[N′-(4-Chlorophenyl)carbamimidamido]-N-(propan-2-yl)methanimidamide hydrochloride
Categories:
Active Pharmaceutical Ingredients > Antiparasitic Drugs

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Description

White Solid

Proguanil hydrochloride Basic Attributes

Molecular Weight：

290.19

Exact Mass：

289.086090

EC Number：

211-283-7

HScode：

2925294500

Characteristics

PSA：

83.79000

XLogP3：

4.06530

Melting Point：

243-244 °C

Boiling Point：

402.7ºC at 760 mmHg

Flash Point：

197.4ºC

Water Solubility：

acetonitrile: water: ~1mg/mL (60/40)

Storage Conditions：

-20°C Freezer

Toxicity：

LD50 orally in rats: 200 mg/kg (Schmidt)

Collision Cross Section：

161 Å² [M+H]+ [CCS Type: TW, Method: calibrated with polyalanine and drug standards]

Safety Information

Packing level：

III

Hazard category：

6.1(b)

Transport codes：

3249

wgk germany：

hazard class code：

safety instructions：

RTECS Number：

DU1750000

Marks：

Precautionary statement(s)：

Missing Phrase - N15.00950417

Hazard Statements：

H301

Proguanil hydrochloride Use and Manufacturing

Antimalarial

Computed Properties

Molecular Weight:290.19
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:4
Exact Mass:289.0861010
Monoisotopic Mass:289.0861010
Topological Polar Surface Area:88.8
Heavy Atom Count:18
Complexity:292
Undefined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes