Fasudil

C14H17N3O2SCAS 103745-39-7291.37 g/mol

Open in Covalent MOL file
OSONNHN
Secondary amineSulfonamide

Properties

Molecular formula
C14H17N3O2S
Molar mass
291.37 g/mol
Exact mass
291.1041 Da
logP
1.22Crippen estimate
Polar surface area
62.3 Ų
H-bond donors / acceptors
1 / 4
Rotatable bonds
2

Hazards

Warning
Irritant (GHS07)

Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
103745-39-7
SMILES
O=S(=O)(c1cccc2cnccc12)N1CCCNCC1
InChIKey
NGOGFTYYXHNFQH-UHFFFAOYSA-N
InChI
InChI=1S/C14H17N3O2S/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

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

7 names
  • Isoquinoline, 5-[(hexahydro-1H-1,4-diazepin-1-yl)sulfonyl]-
  • 1H-1,4-Diazepine, hexahydro-1-(5-isoquinolinylsulfonyl)-
  • 5-[(Hexahydro-1H-1,4-diazepin-1-yl)sulfonyl]isoquinoline
  • HA 1077
  • 1-(5-Isoquinolinesulfonyl)homopiperazine
  • AT 877
  • Hexahydro-1-(5-isoquinolinesulfonyl)-1H-1,4-diazepine

Work with Fasudil

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Fasudil hydrochloride105628-07-7Salt

Similar compounds

1-(5-Isoquinolinylsulfonyl)piperazine84468-24-690 % similar 1-(5-Isoquinolinylsulfonyl)-3-methylpiperazine dihydrochloride140663-38-360 % similar 1-(5-Isoquinolinesulfonyl)-2-methylpiperazine dihydrochloride108930-17-257 % similar 5-Isoquinolinesulfonic acid27655-40-947 % similar 5-Isoquinolinesulfonyl chloride84468-15-547 % similar H-9 Dihydrochloride116700-36-846 % similar H 8 Dihydrochloride113276-94-145 % similar 1-Benzenesulfonyl-piperazine14172-55-545 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook