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522-23-6
Catalog No.:AA01CC6M

522-23-6 | Benzoic acid, 3,4,5-trimethoxy-,2-[4-[3-(2-chloro-10H-phenothiazin-10-yl)propyl]-1-piperazinyl]ethylester, (2E)-2-butenedioate (1:2)

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Technical Information
Catalog Number:
AA01CC6M
Chemical Name:
Benzoic acid, 3,4,5-trimethoxy-,2-[4-[3-(2-chloro-10H-phenothiazin-10-yl)propyl]-1-piperazinyl]ethylester, (2E)-2-butenedioate (1:2)
CAS Number:
522-23-6
Molecular Formula:
C35H40ClN3O9S
Molecular Weight:
714.2248
SMILES:
OC(=O)/C=C/C(=O)O.COc1cc(cc(c1OC)OC)C(=O)OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2
Properties
Computed Properties
 
Complexity:
926  
Covalently-Bonded Unit Count:
3  
Defined Bond Stereocenter Count:
2  
Heavy Atom Count:
57  
Hydrogen Bond Acceptor Count:
17  
Hydrogen Bond Donor Count:
4  
Rotatable Bond Count:
16  

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SDS
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Tags:522-23-6 Molecular Formula|522-23-6 MDL|522-23-6 SMILES|522-23-6 Benzoic acid, 3,4,5-trimethoxy-,2-[4-[3-(2-chloro-10H-phenothiazin-10-yl)propyl]-1-piperazinyl]ethylester, (2E)-2-butenedioate (1:2)