Fasudil Impurity 7

CAT: 1299-RM-F226833-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-F226833-01Size:10 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

27655-40-9

Synonyms

Isoquinoline-5-sulfonic acid

Molecular Formula

C9H7NO3S

Molecular Weight

209.22

Target Alternative Name

Fasudil

Product Name Synonym

Isoquinoline-5-sulfonic acid

Chemical Information

5-Isoquinolinesulfonic acid

CAS Number	27655-40-9
PubChem CID	241599
IUPAC Name	isoquinoline-5-sulfonic acid
Molecular Formula	C9H7NO3S
Molecular Weight	209.22
XLogP	0.8
Topological Polar Surface Area	75.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Heavy Atom Count	14
Formal Charge	0
Complexity	296

SMILES

C1=CC2=C(C=CN=C2)C(=C1)S(=O)(=O)O

InChI

InChI=1S/C9H7NO3S/c11-14(12,13)9-3-1-2-7-6-10-5-4-8(7)9/h1-6H,(H,11,12,13)

InChIKey

YFMJTLUPSMCTOQ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 27655-40-9

CID: 241599

Formula: C9H7NO3S

MW: 209.22

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	209.22
XLogP3	0.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Exact Mass	209.01466426
Monoisotopic Mass	209.01466426
Topological Polar Surface Area	75.6 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	296
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes