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Product Overview

Product Code

TRC-B682600

CAS Number

22260-51-1

Product Format

Neat

Molecular Formula

C32 H40 Br N5 O5 . C H4 O3 S

Molecular Weight

750.70

API Family

Bromocriptine Mesilate, Ergocryptine

Product Categories

TRC, Additional Toxicology Reference Materials , Impurity Reference Materials , Alkaloids, Additional pharmaceutical toxicology reference materials, Additional pharmaceutical toxicology research materials, Dopamine receptors, Neurotransmission, Alzheimer's, Depression, Huntington's, Parkinson's, Schizophrenia, Addiction, Stress and Anxiety, Pain and Inflammation, Chiral catalysts, ligands, & reagents

Product Type

Impurity, Synthesis Tools

Alternate CAS Number

Free base: 25614-03-3

Drug Type

Additional Drugs

Documentation

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Product Information

Chemical Data

Analyte Name

Bromocriptine mesylate

CAS Number

22260-51-1

Molecular Formula

C32 H40 Br N5 O5 . C H4 O3 S

Molecular Weight

750.70

Accurate Mass

749.2094

SMILES

CC(C)C[C@@H]1N2C(=O)[C@](NC(=O)[C@H]3CN(C)[C@@H]4Cc5c(Br)[nH]c6cccc(C4=C3)c56)(O[C@@]2(O)[C@@H]7CCCN7C1=O)C(C)C.CS(=O)(=O)O

InChI

InChI=1S/C32H40BrN5O5.CH4O3S/c1-16(2)12-24-29(40)37-11-7-10-25(37)32(42)38(24)30(41)31(43-32,17(3)4)35-28(39)18-13-20-19-8-6-9-22-26(19)21(27(33)34-22)14-23(20)36(5)15-18;1-5(2,3)4/h6,8-9,13,16-18,23-25,34,42H,7,10-12,14-15H2,1-5H3,(H,35,39);1H3,(H,2,3,4)/t18-,23-,24+,25+,31-,32+;/m1./s1

IUPAC

(6aR,9R)-5-Bromo-N-[(2R,5S,10aS,10bS)-10b-hydroxy-2-(1-methylethyl)-5-(2-methylpropyl)-3,6-dioxooctahydro-8H-oxazolo[3,2-a]pyrrolo[2,1-c]pyrazin-2-yl]-7-methyl-4,6,6a,7,8,9-hexahydroindolo[4,3-fg]quinoline-9-carboxamide methanesulfonate

Alternate CAS Number

Free base: 25614-03-3

Product Data

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Impurity

Product Format

Neat

API Family

Bromocriptine Mesilate; Ergocryptine

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Product Overview

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Chemical Data

Product Data

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2-Bromo alpha-Ergocryptine Mesylate

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