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100770-17-0 | Phenothiazine, 10-[N-[2-(dimethylamino)ethyl]glycyl]-, maleate (1:1) (7CI)
CAS No: 100770-17-0 Catalog No: AG0002U9 MDL No:
Product Description
Catalog Number:
AG0002U9
Chemical Name:
Phenothiazine, 10-[N-[2-(dimethylamino)ethyl]glycyl]-, maleate (1:1) (7CI)
CAS Number:
100770-17-0
Molecular Formula:
C22H25N3O5S
Molecular Weight:
443.5160
IUPAC Name:
but-2-enedioic acid;2-[2-(dimethylamino)ethylamino]-1-phenothiazin-10-ylethanone
InChI:
InChI=1S/C18H21N3OS.C4H4O4/c1-20(2)12-11-19-13-18(22)21-14-7-3-5-9-16(14)23-17-10-6-4-8-15(17)21;5-3(6)1-2-4(7)8/h3-10,19H,11-13H2,1-2H3;1-2H,(H,5,6)(H,7,8)
InChI Key:
YZNQXKVXAWSXRO-UHFFFAOYSA-N
SMILES:
OC(=O)/C=C\C(=O)O.CN(CCNCC(=O)N1c2ccccc2Sc2c1cccc2)C
Properties
Complexity:
501
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
443.151g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
443.518g/mol
Monoisotopic Mass:
443.151g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
136A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
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