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6663-52-1 | 10-(3-(3-AZASPIRO(5.5)UNDEC-3-YL)PROPYL)-1-METHYLPHENOTHIAZINE, HYDROCHLORIDE
CAS No: 6663-52-1 Catalog No: AG00H7WI MDL No:
Product Description
Catalog Number:
AG00H7WI
Chemical Name:
10-(3-(3-AZASPIRO(5.5)UNDEC-3-YL)PROPYL)-1-METHYLPHENOTHIAZINE, HYDROCHLORIDE
CAS Number:
6663-52-1
Molecular Formula:
C26H35ClN2S
Molecular Weight:
443.0875
IUPAC Name:
10-[3-(3-azaspiro[5.5]undecan-3-yl)propyl]-1-methylphenothiazine;hydrochloride
InChI:
InChI=1S/C26H34N2S.ClH/c1-21-9-7-12-24-25(21)28(22-10-3-4-11-23(22)29-24)18-8-17-27-19-15-26(16-20-27)13-5-2-6-14-26;/h3-4,7,9-12H,2,5-6,8,13-20H2,1H3;1H
InChI Key:
QWFARVILYDPYBN-UHFFFAOYSA-N
SMILES:
Cc1cccc2c1N(CCCN1CCC3(CC1)CCCCC3)c1c(S2)cccc1.Cl
Properties
Complexity:
521
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
442.221g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
443.09g/mol
Monoisotopic Mass:
442.221g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
31.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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