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Debrisoquine sulfate

Debrisoquine sulfate structure

CAS No:
581-88-4
Formula:
C10H13N3.¹/2H2O4S
Chemical Name:
Debrisoquine sulfate
Synonyms:
2(1H)-Isoquinolinecarboximidamide,3,4-dihydro-,sulfate (2:1);2(1H)-Isoquinolinecarboxamidine,3,4-dihydro-,sulfate (2:1);Debrisoquin sulfate;Declinax;Isocaramidine sulfate;Debrisoquine sulfate;1,2,3,4-Tetrahydro-isoquinoline-2-carboxamidine sulfate;Ro 5-3307/1;Debrisoquin hemisulfate;Debrisoquine hemisulfate;3,4-Dihydroisoquinoline-2(1H)-carboximidamide hemisulfate
Categories:
Chemical Reagents > Organic Reagents

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Description

Crystalline Solid

Debrisoquine sulfate Basic Attributes

Molecular Weight：

448.54

Exact Mass：

448.189270

EC Number：

209-472-4

UNII：

Q94064N9NW

DSSTox ID：

DTXSID2047775

HScode：

2933499090

Characteristics

PSA：

189.20000

XLogP3：

3.78020

Melting Point：

278-280 °C

Boiling Point：

309.8ºC at 760 mmHg

Flash Point：

141.1ºC

Water Solubility：

H2O: 20 mg/mL with heat

Storage Conditions：

-20°C Freezer

Toxicity：

LD50 in neonate, adult rats (mg/kg): 88 ±18, 1580 ±163 orally (Goldenthal)

Collision Cross Section：

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

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

safety instructions：

26-36

RTECS Number：

NW7010000

Marks：

Precautionary statement(s)：

P264, P270, P301+P312, P330, P501

Hazard Statements：

H302

GHS Classification：

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P264, P270, P301+P312, P330, and P501|Aggregated GHS information provided by 38 companies from 1 notifications to the ECHA C&L Inventory.

Debrisoquine sulfate Use and Manufacturing

Antihypertensive

Computed Properties

Molecular Weight:448.5
Hydrogen Bond Donor Count:6
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:2
Exact Mass:448.18927457
Monoisotopic Mass:448.18927457
Topological Polar Surface Area:189
Heavy Atom Count:31
Complexity:284
Covalently-Bonded Unit Count:3
Compound Is Canonicalized:Yes

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Debrisoquine sulfate

CAS No.: 581-88-4

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