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85006-24-2 | 10H-Phenothiazine,10-[(1,3-dimethyl-3-pyrrolidinyl)methyl]-, hydrochloride (1:1)
CAS No: 85006-24-2 Catalog No: AG0050PD MDL No:
Product Description
Catalog Number:
AG0050PD
Chemical Name:
10H-Phenothiazine,10-[(1,3-dimethyl-3-pyrrolidinyl)methyl]-, hydrochloride (1:1)
CAS Number:
85006-24-2
Molecular Formula:
C19H23ClN2S
Molecular Weight:
346.9173
IUPAC Name:
10-[(1,3-dimethylpyrrolidin-3-yl)methyl]phenothiazine;hydrochloride
InChI:
InChI=1S/C19H22N2S.ClH/c1-19(11-12-20(2)13-19)14-21-15-7-3-5-9-17(15)22-18-10-6-4-8-16(18)21;/h3-10H,11-14H2,1-2H3;1H
InChI Key:
CTHVCPPTDIONIE-UHFFFAOYSA-N
SMILES:
CN1CCC(C1)(C)CN1c2ccccc2Sc2c1cccc2.Cl
EC Number:
285-054-5
Properties
Complexity:
379
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
346.127g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
346.917g/mol
Monoisotopic Mass:
346.127g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
31.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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