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102602-97-1 | Phenothiazine, 10-[N-(2-morpholinoethyl)glycyl]-, dimaleate (7CI)
CAS No: 102602-97-1 Catalog No: AG0007VM MDL No:
Product Description
Catalog Number:
AG0007VM
Chemical Name:
Phenothiazine, 10-[N-(2-morpholinoethyl)glycyl]-, dimaleate (7CI)
CAS Number:
102602-97-1
Molecular Formula:
C28H31N3O10S
Molecular Weight:
601.6248
IUPAC Name:
(Z)-but-2-enedioic acid;2-(2-morpholin-4-ylethylamino)-1-phenothiazin-10-ylethanone
InChI:
InChI=1S/C20H23N3O2S.2C4H4O4/c24-20(15-21-9-10-22-11-13-25-14-12-22)23-16-5-1-3-7-18(16)26-19-8-4-2-6-17(19)23;2*5-3(6)1-2-4(7)8/h1-8,21H,9-15H2;2*1-2H,(H,5,6)(H,7,8)/b;2*2-1-
InChI Key:
HWCCLMZVGBBVHH-SPIKMXEPSA-N
SMILES:
O=C(N1c2ccccc2Sc2c1cccc2)CNCCN1CCOCC1.OC(=O)/C=C\C(=O)O.OC(=O)/C=C\C(=O)O
Properties
Complexity:
569
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
2
Exact Mass:
601.173g/mol
Formal Charge:
0
Heavy Atom Count:
42
Hydrogen Bond Acceptor Count:
13
Hydrogen Bond Donor Count:
5
Isotope Atom Count:
0
Molecular Weight:
601.627g/mol
Monoisotopic Mass:
601.173g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
219A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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