AG00745Q

4330-99-8 | 10-(3-Dimethylamino-2-methylpropyl)phenothiazine tartrate

AG00745Q

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CAS Number	4330-99-8
Catalog Number	AG00745Q(AGN-PC-0RRO9U)
Chemical Name	10-(3-Dimethylamino-2-methylpropyl)phenothiazine tartrate
EC Number	224-368-9
IUPAC Name	(2R,3R)-2,3-dihydroxybutanedioic acid;N,N,2-trimethyl-3-phenothiazin-10-ylpropan-1-amine
InChI	InChI=1S/2C18H22N2S.C4H6O6/c2*1-14(12-19(2)3)13-20-15-8-4-6-10-17(15)21-18-11-7-5-9-16(18)20;5-1(3(7)8)2(6)4(9)10/h2*4-11,14H,12-13H2,1-3H3;1-2,5-6H,(H,7,8)(H,9,10)/t;;1-,2-/m..1/s1
InChI Key	AJZJIYUOOJLBAU-CEAXSRTFSA-N
MDL Number	MFCD00242594
Molecular Formula	C40H50N4O6S2
Molecular Weight	746.9782
SMILES	CC(CN1C3=C(C=CC=C3)SC2=C1C=CC=C2)CN(C)C.CC(CN4C6=C(C=CC=C6)SC5=C4C=CC=C5)CN(C)C.O[C@@H]([C@@H](C(O)=O)O)C(O)=O
Synonyms	Temaril, Theralen, Theraline, trimeprazine tartrate, Alimemazine tartrate, Trimeprazine tartrate, Alimemazine hemitartrate, 4330-99-8, Trimeprazine tartrate [USP], Trimeprazine tartrate (USP), (2R,3R)-2,3-dihydroxybutanedioic acid;N,N,2-trimethyl-3-phenothiazin-10-ylpropan-1-amine, Alimezine (TN), alimemazine-tartrate, Methylpromazine Tartrate, AC1L9AT0, Alimemazine tartrate (JP17), SCHEMBL719590, MFCD00242594, SC-78545, D02245, Trimeprazine Tartrate 1.0 mg/ml in Methanol (as free base), 10-[3-(Dimethylamino)-2-methylpropyl]phenothiazine Tartrate, Trimeprazine Tartrate / 10-[3-(Dimethylamino)-2-methylpropyl]phenothiazine Tartrate, Nedeltran, Panectyl, Repeltin, Therafene, Theralen, Theralene, Vallergan, Vanectyl, Temaril, Alimezine, Trimeprazinetartrate, Bayer 1219, Alimemazin (RR)-tartrat, UNII-362NW1LD6Z, Trimeprazine tartrate [USAN], Trimeprazine hemi-(+)tartrate, 362NW1LD6Z, SKF 5277, EINECS 224-368-9, RP 6549, CID441236, CS-O-30789, C18H22N2S.1/2C4H6O6, A2813, C18-H22-N2-S.1/2C4-H6-O6, 10-(3-(Dimethylamino)-2-methylpropyl)phenothiazine tartrate (2:1), Phenothiazine, 10-(3-(dimethylamino)-2-methylpropyl)-, tartrate (2:1), Phenothiazine, 10-[3-(dimethylamino)-2-methylpropyl]-, tartrate (2:1), (2R,3R)-2,3-dihydroxybutanedioic acid; N,N,2-trimethyl-3-phenothiazin-10-ylpropan-1-amine, 10H-Phenothiazine-10-propanamine N,N,beta-trimethyl-, (R-(R*,R*))-2,3-dihydroxybutanedioate (2:1), 10H-Phenothiazine-10-propanamine, N,N,.beta.-trimethyl-, [R-(R*,R*)]-2,3-dihydroxybutanedioate (2:1), 10H-Phenothiazine-10-propanamine, N,N,beta-trimethyl-, (R-(R*,R*))-2,3-dihydroxybutanedioate (2:1),

Complexity	445
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	3
Defined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Exact Mass	746.317g/mol
Formal Charge	0
Heavy Atom Count	52
Hydrogen Bond Acceptor Count	12
Hydrogen Bond Donor Count	4
Isotope Atom Count	0
Molecular Weight	746.982g/mol
Monoisotopic Mass	746.317g/mol
Rotatable Bond Count	11
Topological Polar Surface Area	179A^2
Undefined Atom Stereocenter Count	2
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H301
Packing Group	Ⅲ
Precautionary statements	P301+P310
UN Code	UN 2811

Certificate of Analysis

Lot Number