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887258-94-8 | Vabicaserin hydrochloride
CAS No: 887258-94-8 Catalog No: AG01FHH7 MDL No:
Product Description
Catalog Number:
AG01FHH7
Chemical Name:
Vabicaserin hydrochloride
CAS Number:
887258-94-8
Molecular Formula:
C15H21ClN2
Molecular Weight:
264.7936
IUPAC Name:
(12R,16S)-7,10-diazatetracyclo[8.6.1.05,17.012,16]heptadeca-1,3,5(17)-triene;hydrochloride
InChI:
InChI=1S/C15H20N2.ClH/c1-3-11-9-16-7-8-17-10-12-4-2-5-13(12)14(6-1)15(11)17;/h1,3,6,12-13,16H,2,4-5,7-10H2;1H/t12-,13-;/m0./s1
InChI Key:
PYPPENBDXAWXJC-QNTKWALQSA-N
SMILES:
C1NCc2c3N(C1)C[C@@H]1CCC[C@@H]1c3ccc2.Cl
EC Number:
618-208-0
UNII:
2759C7222C
Properties
Complexity:
291
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
264.139g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
264.797g/mol
Monoisotopic Mass:
264.139g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
15.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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