chempirical

Fasudil hydrochloride

C14H18ClN3O2SCAS 105628-07-7327.83 g/mol

Open in Covalent MOL file
HClOSONNNH
Secondary amineSulfonamide

Properties

Molecular formula
C14H18ClN3O2S
Molar mass
327.83 g/mol
Exact mass
327.0808 Da
Melting point
220 °C
logP
1.64Crippen estimate
Polar surface area
62.3 Ų
H-bond donors / acceptors
1 / 4
Rotatable bonds
2

Identifiers

CAS number
105628-07-7
SMILES
Cl.O=S(=O)(c1cccc2cnccc12)N1CCCNCC1
InChIKey
LFVPBERIVUNMGV-UHFFFAOYSA-N
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

Weigh it out

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

Names and synonyms

4 names
  • Isoquinoline, 5-[(hexahydro-1H-1,4-diazepin-1-yl)sulfonyl]-, hydrochloride (1:1)
  • 1H-1,4-Diazepine, hexahydro-1-(5-isoquinolinylsulfonyl)-, monohydrochloride
  • 1-(5-Isoquinolinesulfonyl)homopiperazine hydrochloride
  • Eril

Work with Fasudil hydrochloride

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

Similar compounds

Fasudil103745-39-793 % similar H 7 Dihydrochloride108930-17-262 % similar H-9 Dihydrochloride116700-36-851 % similar H 8 Dihydrochloride113276-94-150 % similar 5-Isoquinolinesulfonic acid27655-40-944 % similar 5-Isoquinolinesulfonyl chloride84468-15-544 % similar H-89127243-85-039 % similar Kn-62127191-97-337 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook