(2R,3S)-2,3-dihydroxybutanedioic acid;bis((2S)-N,N,2-trimethyl-3-phenothiazin-10-ylpropan-1-amine)
Basic information
- CAS
4330-99-8- Standard SMILES
C[C@@H](CN(C)C)CN1c2ccccc2Sc2ccccc21.C[C@@H](CN(C)C)CN1c2ccccc2Sc2ccccc21.O=C(O)[C@@H](O)[C@@H](O)C(=O)O- InChIKey
AJZJIYUOOJLBAU-ZYIUJVGZSA-N- Molecular formula
- C40H50N4O6S2
- Average molar mass
- 747 g/mol
- Monoisotopic mass
- 746.31717767
Names & identifiers
- Preferred name
- (2R,3S)-2,3-dihydroxybutanedioic acid;bis((2S)-N,N,2-trimethyl-3-phenothiazin-10-ylpropan-1-amine)
- IUPAC
- (2R,3S)-2,3-dihydroxybutanedioic acid;bis((2S)-N,N,2-trimethyl-3-phenothiazin-10-ylpropan-1-amine)
- English name
- Trimeprazine tartrate
- Molecular formula
- C22H28N2O6S
- Molecular weight
- 448.53
Names & synonyms
NCGC00017045-01CAS-4330-99-8CHEMBL1434588Tox21_110755Tox21_110755_1NCGC00178737-05(2R,3S)-2,3-Dihydroxybutanedioic acid--(2S)-N,N,2-trimethyl-3-(10H-phenothiazin-10-yl)propan-1-amine (1/2)alimemazine tartrateAlimemazine hemitartratetemarilrepeltinpanectyl
Show more names
vanectylvallergantheraleneNSC 17475Temaril 16
Database identifiers
- CAS
4330-99-8- PubChem CID
- 6604495
- DTXSID
DTXSID3045560- ChEMBL
CHEMBL1434588
Properties
Computed structural properties
- Topological polar surface area
- 179 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 11
- Heavy atoms
- 52
- Formal charge
- 0
- Complexity
- 445
Physicochemical properties
- Melting point
- 153 · 153-155°C
- storage temp.
- Inert atmosphere,Room Temperature
- solubility
- 10 mg/ml; · DMF: 10 mg/ml; DMSO: 10 mg/ml; Ethanol: 5 mg/ml; PBS (pH 7.2): insol
- form
- Solid
- color
- White to Almost white
- Merck
- 14 · 14,9704
- Major Application
- pharmaceutical (small molecule)
- InChIKey
- ZEEPCWVFSHMOPI-MVELKYERNA-N
- SMILES
- C(N1C2=CC=CC=C2SC2C=CC=CC1=2)C(C)CN(C)C.[C@H](O)(C(=O)O)[C@@H](O)C(=O)O |&1:21,26,r|
- CAS DataBase Reference
- 4330 · 4330-99-8(CAS DataBase Reference)
- FDA UNII
- 362 NW1LD6Z · 362NW1LD6Z
- UNSPSC Code
- 41116107 · 41116107
- NACRES
- 24 · NA.24
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Danger
- Hazard statements
- 301 · H301
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- wgk
- 3
- rtecs
- SO6475000
- ridadr
- 3249
- hs_code
- 2934302700
- risk_code
- 20/21/22
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- hazard_code
- Xn
- safety_code
- 36
- hazard_class
- 6.1(b)
- Storage Class
- 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
- packing_group
- III
- Hazard statements
- H301
- Hazard Classifications
- Acute Tox. 3 Oral
- Precautionary statements
- P301+P330+P331+P310
Chemistry & industry
Applications
UsesAntipruritic. Antibacterial, antimicrobial agent
General DescriptionTrimeprazine tartrate, (±)10-[3-(dimethylamino)-2-methylpropyl] phenothiazine tartrate(Temaril), occurs as a white to off-white crystalline powderthat is freely soluble in water and soluble in alcohol. Its antihistaminicaction is reported to be from 1.5 to 5 times thatof promethazine. Clinical studies have shown it has a pronouncedantipruritic action that may be unrelated to itshistamine-antagonizing properties.
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