Analyte Name

Trifluoperazine N-Beta-D-glucuronide

CAS Number

165602-90-4

Molecular Formula

C27 H32 F3 N3 O6 S

Molecular Weight

583.62

Accurate Mass

583.1964

SMILES

C[N+]1(CCN(CCCN2c3ccccc3Sc4ccc(cc24)C(F)(F)F)CC1)[C@H]5O[C@@H]([C@@H](O)[C@H](O)[C@H]5O)C(=O)[O-]

InChI

InChI=1S/C27H32F3N3O6S/c1-33(25-23(36)21(34)22(35)24(39-25)26(37)38)13-11-31(12-14-33)9-4-10-32-17-5-2-3-6-19(17)40-20-8-7-16(15-18(20)32)27(28,29)30/h2-3,5-8,15,21-25,34-36H,4,9-14H2,1H3/t21-,22-,23+,24-,25-/m0/s1

IUPAC

(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[1-methyl-4-[3-[2-(trifluoromethyl)phenothiazin-10-yl]propyl]piperazin-1-ium-1-yl]oxane-2-carboxylate

Storage Temperature

+4°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Metabolite

Product Format

Neat

API Family

Trifluoperazine Hydrochloride