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Chemistry

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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

Cyamemazine Tartrate

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 Formula	C₂₃H₂₇N₃O₆S
Molecular Weight	473.5 g/mol
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	10
Rotatable Bond Count	7
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	171
Heavy Atom Count	33
Formal Charge	0
Complexity	577
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	2