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4434-20-2 | CLOTHIAZAMIDEDIMALEATE
CAS No: 4434-20-2 Catalog No: AG00DRBG MDL No:
Product Description
Catalog Number:
AG00DRBG
Chemical Name:
CLOTHIAZAMIDEDIMALEATE
CAS Number:
4434-20-2
IUPAC Name:
(Z)-but-2-enedioic acid;3-[4-[3-(2-chlorothioxanthen-9-ylidene)propyl]piperazin-1-yl]-N-methylpropanamide
InChI:
InChI=1S/C24H28ClN3OS.2C4H4O4/c1-26-24(29)10-12-28-15-13-27(14-16-28)11-4-6-19-20-5-2-3-7-22(20)30-23-9-8-18(25)17-21(19)23;2*5-3(6)1-2-4(7)8/h2-3,5-9,17H,4,10-16H2,1H3,(H,26,29);2*1-2H,(H,5,6)(H,7,8)/b;2*2-1-
InChI Key:
PDAUESICMCKTDM-SPIKMXEPSA-N
UNII:
DNS84NJF1Q
Properties
Complexity:
726
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
2
Exact Mass:
673.186g/mol
Formal Charge:
0
Heavy Atom Count:
46
Hydrogen Bond Acceptor Count:
12
Hydrogen Bond Donor Count:
5
Isotope Atom Count:
0
Molecular Weight:
674.162g/mol
Monoisotopic Mass:
673.186g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
210A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
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