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2D Structure
Also known as: 93841-82-8, Unii-c4zt3be459, C4zt3be459, Einecs 299-054-8, Cyamemazine tartrate [who-dd], 2-cyano-10-(3-(dimethylammonio)-2-methylpropyl)-10h-phenothiazinium (r-(r*,r*))-tartrate
Molecular Formula
C23H27N3O6S
Molecular Weight
473.5  g/mol
InChI Key
OVSVMCBAXAWPTR-LREBCSMRSA-N
FDA UNII
C4ZT3BE459

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
(2R,3R)-2,3-dihydroxybutanedioic acid;10-[3-(dimethylamino)-2-methylpropyl]phenothiazine-2-carbonitrile
2.1.2 InChI
InChI=1S/C19H21N3S.C4H6O6/c1-14(12-21(2)3)13-22-16-6-4-5-7-18(16)23-19-9-8-15(11-20)10-17(19)22;5-1(3(7)8)2(6)4(9)10/h4-10,14H,12-13H2,1-3H3;1-2,5-6H,(H,7,8)(H,9,10)/t;1-,2-/m.1/s1
2.1.3 InChI Key
OVSVMCBAXAWPTR-LREBCSMRSA-N
2.2 Other Identifiers
2.2.1 UNII
C4ZT3BE459
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 93841-82-8

2. Unii-c4zt3be459

3. C4zt3be459

4. Einecs 299-054-8

5. Cyamemazine Tartrate [who-dd]

6. 2-cyano-10-(3-(dimethylammonio)-2-methylpropyl)-10h-phenothiazinium (r-(r*,r*))-tartrate

7. 10h-phenothiazine-2-carbonitrile, 10-[3-(dimethylamino)-2-methylpropyl]-, (2r,3r)-2,3-dihydroxybutanedioate (1:1)

8. 2-cyano-10-[3-(dimethylammonio)-2-methylpropyl]-10h-phenothiazinium [r-(r*,r*)]-tartrate

9. (2r,3r)-2,3-dihydroxybutanedioic Acid;10-[3-(dimethylamino)-2-methylpropyl]phenothiazine-2-carbonitrile

10. 10-(3-dimethylamino-2-methylpropyl)phenothiazine-2-carbonitrile Tartrate

11. 10h-phenothiazine-2-carbonitrile, 10-(3-(dimethylamino)-2-methylpropyl)-, (2r,3r)-2,3-dihydroxybutanedioate (1:1)

12. Ovsvmcbaxawptr-lrebcsmrsa-n

13. D07756

14. Q27275196

2.4 Create Date
2008-09-10
3 Chemical and Physical Properties
Molecular Weight 473.5 g/mol
Molecular Formula C23H27N3O6S
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count10
Rotatable Bond Count7
Exact Mass g/mol
Monoisotopic Mass g/mol
Topological Polar Surface Area171
Heavy Atom Count33
Formal Charge0
Complexity577
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count2