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Home Sulfos 4-Fluoro-5-[(2S)-2-methyl-1,4-diazepane-1-sulfonyl]isoquinoline dihydrate hydrochloride

4-Fluoro-5-[(2S)-2-methyl-1,4-diazepane-1-sulfonyl]isoquinoline dihydrate hydrochloride

CAS No.:
887375-67-9
Catalog Number:
AG00GU3V
Molecular Formula:
C15H23ClFN3O4S
Molecular Weight:
395.8772
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5mg
98%(HPLC)
In Stock USA
United States
$297
- +
10mg
98%(HPLC)
In Stock USA
United States
$453
- +
25mg
98%(HPLC)
In Stock USA
United States
$986
- +
Product Description
Catalog Number:
AG00GU3V
Chemical Name:
4-Fluoro-5-[(2S)-2-methyl-1,4-diazepane-1-sulfonyl]isoquinoline dihydrate hydrochloride
CAS Number:
887375-67-9
Molecular Formula:
C15H23ClFN3O4S
Molecular Weight:
395.8772
MDL Number:
MFCD26960897
IUPAC Name:
4-fluoro-5-[[(2S)-2-methyl-1,4-diazepan-1-yl]sulfonyl]isoquinoline;dihydrate;hydrochloride
InChI:
InChI=1S/C15H18FN3O2S.ClH.2H2O/c1-11-8-17-6-3-7-19(11)22(20,21)14-5-2-4-12-9-18-10-13(16)15(12)14;;;/h2,4-5,9-11,17H,3,6-8H2,1H3;1H;2*1H2/t11-;;;/m0.../s1
InChI Key:
CMDJNMACGABCKQ-XVSRHIFFSA-N
SMILES:
C[C@H]1CNCCCN1S(=O)(=O)c1cccc2c1c(F)cnc2.Cl.O.O
UNII:
016TTR32QF
Properties
Complexity:
482  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
4  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
395.108g/mol
Formal Charge:
0
Heavy Atom Count:
25  
Hydrogen Bond Acceptor Count:
8  
Hydrogen Bond Donor Count:
4  
Isotope Atom Count:
0
Molecular Weight:
395.874g/mol
Monoisotopic Mass:
395.108g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
72.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Literature
Title Journal
Novel Pharmacologic Candidates for Treatment of Primary Open-Angle Glaucoma. The Yale journal of biology and medicine 20170301
Effects of K-115 (Ripasudil), a novel ROCK inhibitor, on trabecular meshwork and Schlemm's canal endothelial cells. Scientific reports 20160101
Ripasudil: first global approval. Drugs 20141201
Phase 1 clinical trials of a selective Rho kinase inhibitor, K-115. JAMA ophthalmology 20131001
Properties