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106303-06-4 | 10-(N-(3-(1-PYRROLIDINYL)PROPYL)GLYCYL)PHENOTHIAZINE, DIMALEATE
CAS No: 106303-06-4 Catalog No: AG007D3R MDL No:
Product Description
Catalog Number:
AG007D3R
Chemical Name:
10-(N-(3-(1-PYRROLIDINYL)PROPYL)GLYCYL)PHENOTHIAZINE, DIMALEATE
CAS Number:
106303-06-4
Molecular Formula:
C29H33N3O9S
Molecular Weight:
599.6520
IUPAC Name:
but-2-enedioic acid;1-phenothiazin-10-yl-2-(3-pyrrolidin-1-ylpropylamino)ethanone
InChI:
InChI=1S/C21H25N3OS.2C4H4O4/c25-21(16-22-12-7-15-23-13-5-6-14-23)24-17-8-1-3-10-19(17)26-20-11-4-2-9-18(20)24;2*5-3(6)1-2-4(7)8/h1-4,8-11,22H,5-7,12-16H2;2*1-2H,(H,5,6)(H,7,8)
InChI Key:
FLZVNTFOFDKBKX-UHFFFAOYSA-N
SMILES:
O=C(N1c2ccccc2Sc2c1cccc2)CNCCCN1CCCC1.OC(=O)/C=C\C(=O)O.OC(=O)/C=C\C(=O)O
Properties
Complexity:
565
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
599.194g/mol
Formal Charge:
0
Heavy Atom Count:
42
Hydrogen Bond Acceptor Count:
12
Hydrogen Bond Donor Count:
5
Isotope Atom Count:
0
Molecular Weight:
599.655g/mol
Monoisotopic Mass:
599.194g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
210A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
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