AG00HAO6

105628-07-7 | 1H-1,4-Diazepine, hexahydro-1-(5-isoquinolinylsulfonyl)-,monohydrochloride

AG00HAO6

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CAS Number	105628-07-7
Catalog Number	AG00HAO6(AGN-PC-0OV02I)
Chemical Name	1H-1,4-Diazepine, hexahydro-1-(5-isoquinolinylsulfonyl)-,monohydrochloride
IUPAC Name	5-(1,4-diazepan-1-ylsulfonyl)isoquinoline;hydrochloride
InChI	InChI=1S/C14H17N3O2S.ClH/c18-20(19,17-9-2-6-15-8-10-17)14-4-1-3-12-11-16-7-5-13(12)14;/h1,3-5,7,11,15H,2,6,8-10H2;1H
InChI Key	LFVPBERIVUNMGV-UHFFFAOYSA-N
MDL Number	MFCD00943198
Molecular Formula	C14H18ClN3O2S
Molecular Weight	327.8296
SMILES	O=S(C1=CC=CC2=C1C=CN=C2)(N3CCNCCC3)=O.[H]Cl
UNII	SQ04N8S7BR
Synonyms	1-(5-isoquinolinesulfonyl)homopiperazine, AT 877, AT-877, AT877, fasudil, fasudil hydrochloride, fasudil mesylate, HA 1077, HA-1077, Fasudil hydrochloride, 105628-07-7, Fasudil HCl, Fasudil (HA-1077) HCl, Eril, Fasudil (Hydrochloride), AT-877, AT 877 hydrochloride, Fasudil Monohydrochloride, HA 1077 hydrochloride, UNII-SQ04N8S7BR, ha-1077, 103745-39-7, 5-((1,4-Diazepan-1-yl)sulfonyl)isoquinoline hydrochloride, SQ04N8S7BR, AK-49227, Fasudilhydrochloride, Hexahydro-1-(5-isoquinolinylsulfonyl)-1H-1,4-diazepine monohydrochloride, DSSTox_CID_25615, DSSTox_RID_81004, C14H18ClN3O2S, DSSTox_GSID_45615, CHEMBL541388, 5-(1,4-diazepan-1-ylsulfonyl)isoquinoline hydrochloride, 1H-1,4-Diazepine, hexahydro-1-(5-isoquinolinylsulfonyl)-, monohydrochloride, CAS-105628-07-7, NCGC00018100-04, Fasdil, Fasudil-HA, Fasudil hydrochloride/, PubChem21890, AC1Q6UWK, HA-1077 hydrochloride, AC1L4TJ1, Fasudil-HCl(HA-1077), Fasudil hydrochloride (JAN), REGID_for_CID_4917, BMK1-E2, C14H17N3O2S.HCl, MLS000069344, SCHEMBL317082, Fasudil HCl (HA-1077), Fasudil HCl - HA-1077, BIF105, Fasudil, Monohydrochloride Salt, DTXSID1045615, REGID_for_CID_163751, CHEBI:31593, CTK8G8293, LFVPBERIVUNMGV-UHFFFAOYSA-N, ZX-AFC000094, ACT06296, BCP26351, KS-00000XF9, Tox21_110824, ABP000786, BS0077, CF0040, MFCD00943198, s1573, AKOS015897321, Tox21_110824_1, AC-4515, API0002678, CS-0225, RL00253, TRA0000172, NCGC00018100-08, NCGC00180915-01, 111GE018, AS-17751, HY-10341, LS-60222, SC-20087, SMR000058993, AB0020681, AX8130021, AM20050635, F0839, FT-0631034, ST24044141, SW218155-2, V1656, KS-00000127, D01840, W-5236, C-19908, SR-01000000005, 1-(5isoquinolinesulfonyl)homopiperazine hydrochloride, I09-0612, SR-01000000005-2, 1-(5-isoquinolinesulfonyl)homopiperazine dihydrochloride, 5-(1-Homopiperazinyl)sulfonylisoquinoline Hydrochloride, 5-(1,4-Diazepan-1-ylsulfonyl)isoquinoline hydrochloride (1:1), Isoquinoline,5-[(hexahydro-1H-1,4-diazepin-1-yl)sulfonyl]-, hydrochloride (1:1), 1-(5-Isoquinolinesulfonyl)homopiperazine hydrochloride; Hexahydro-1-(5-isoquinolinylsulfonyl)-1H-1,4-diazepine monohydrochloride, Fasudil, Fasudilum, Fasudil [INN], Fasudilum [INN-Latin], UNII-Q0CH43PGXS, cc-592, HA-1077 DIHYDROCHLORIDE, HA 1077, AR-1I7186, AT 877, C14-H17-N3-O2-S, CID163751, HA1077, C14-H17-N3-O2-S.Cl-H, ACN-032354, 1-(5-Isoquinolinesulfonyl)homopiperazine, A5734, A10381, 1-(5-Isoquinolinesulfonyl)homopiperazine hydrochloride, Hexahydro-1-(5-isoquinolinylsulfonyl)-1H-1,4-diazepine, 5-[(Hexahydro-1H-1,4-diazepin-1-yl)sulfonyl]isoquinoline, 154755-58-5,

Complexity	421
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	327.081g/mol
Formal Charge	0
Heavy Atom Count	21
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	327.827g/mol
Monoisotopic Mass	327.081g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	70.7A^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
Signal Words	warning
UN Code

Certificate of Analysis

Lot Number