AG001O01

155558-32-0 | 1(2H)-Isoquinolinone, 5-[(hexahydro-1H-1,4-diazepin-1-yl)sulfonyl]-, hydrochloride (1:1)

AG001O01

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CAS Number	155558-32-0
Catalog Number	AG001O01(AGN-PC-0Q6XNG)
Chemical Name	1(2H)-Isoquinolinone, 5-[(hexahydro-1H-1,4-diazepin-1-yl)sulfonyl]-, hydrochloride (1:1)
IUPAC Name	5-(1,4-diazepan-1-ylsulfonyl)-2H-isoquinolin-1-one;hydrochloride
InChI	InChI=1S/C14H17N3O3S.ClH/c18-14-12-3-1-4-13(11(12)5-7-16-14)21(19,20)17-9-2-6-15-8-10-17;/h1,3-5,7,15H,2,6,8-10H2,(H,16,18);1H
InChI Key	XWWFOUVDVJGNNG-UHFFFAOYSA-N
MDL Number	MFCD16878992
Molecular Formula	C14H18ClN3O3S
Molecular Weight	343.8290
SMILES	Cl.N1(CCNCCC1)S(=O)(=O)C1=C2C=CNC(C2=CC=C1)=O
Synonyms	Hydroxyfasudil Hydrochloride, 155558-32-0, HA 1100 hydrochloride, Hydroxyfasudil (hydrochloride), HA1100 Hydrochloride, HA-1100 hydrochloride, Hydroxy Fasudil Hydrochloride, Hydroxyfasudil (HA-1100) HCl, HA1100, 1-(1-Hydroxy-5-isoquinolinesulfonyl)homopiperazine, HCl, Hydroxyfasudil HCl, HA-1100 (hydrochloride), Hydroxyfasudil(hydrochloride), C14H17N3O3S.ClH, SCHEMBL1845381, SCHEMBL16499912, CTK8F1094, DTXSID20463911, Hydroxyfasudil hydrochloride hydrate, BCP11069, KS-00001D6Y, 3725AH, FD5036, HY-13911A, IN1295, MFCD06411567, AKOS024457085, AKOS027250757, 155558-32-0 (HCl salt), CS-1600, ACM155558320, AK175625, RT-013283, FT-0669631, SR-00000002171, J-009205, SR-00000002171-1, Hydroxyfasudil hydrochloride hydrate, >=98% (HPLC), solid, 5-((1,4-diazepan-1-yl)sulfonyl)isoquinolin-1-ol hydrochloride, 1-(1-Hydroxy-5-isoquinolinesulfonyl)homopiperazine Hydrochloride, 1-(1-Hydroxy-5-isoquinolinesulfonyl)homopiperazine hydrochloride hydrate, 5-[(1,4-Diazepan-1-yl)sulfonyl]isoquinolin-1(2H)-one Hydrochloride, 5-[(Hexahydro-1H-1,4-diazepin-1-yl)sulfonyl]-1(2H)-isoquinolinone, 1-[(1,2-Dihydro-1-oxo-5-isoquinolinyl)sulfonyl]hexahydro-1H-1,4-diazepine hydrochloride, 5-[(hexahydro-1H-1,4-diazepin-1-yl)sulfonyl]-1(2H)-isoquinolinone, monohydrochloride, HYDROXYFASUDIL, CID11371328, A3479, A15119,

Complexity	526
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	343.076g/mol
Formal Charge	0
Heavy Atom Count	22
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	343.826g/mol
Monoisotopic Mass	343.076g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	86.9A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number