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5-(1,4-diazepan-1-ylsulfonyl)-2H-isoquinolin-1-one,hydrochloride

5-(1,4-diazepan-1-ylsulfonyl)-2H-isoquinolin-1-one,hydrochloride structure

CAS No:
155558-32-0
Formula:
C14H18ClN3O3S
Chemical Name:
5-(1,4-diazepan-1-ylsulfonyl)-2H-isoquinolin-1-one,hydrochloride
Synonyms:
1-(1-Hydroxy-5-isoquinolinesulfonyl)homopiperazine hydrochloride hydrate; HA1100 Hydrochloride; HYDROXYFASUDIL; Hydroxyfasudil monohydrochloride; HA1100;

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5-(1,4-diazepan-1-ylsulfonyl)-2H-isoquinolin-1-one,hydrochloride Basic Attributes

Molecular Weight：

343.82900

Exact Mass：

343.0757403

DSSTox ID：

DTXSID20463911

Characteristics

PSA：

90.91000

XLogP3：

3.07390

Melting Point：

>250ºC

Storage Conditions：

2-8ºC

Safety Information

hazard class code：

R22

Marks：

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.

Computed Properties

Molecular Weight:343.8
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:2
Exact Mass:343.0757403
Monoisotopic Mass:343.0757403
Topological Polar Surface Area:86.9
Heavy Atom Count:22
Complexity:526
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes

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Guide of 5-(1,4-diazepan-1-ylsulfonyl)-2H-isoquinolin-1-one,hydrochloride

Basic Attributes
Characteristics
Safety Information
Computed Properties

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