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> Dihydroergotamine (+)-Tartrate Salt (2:1)[5989-77-5]

Dihydroergotamine (+)-Tartrate Salt (2:1)[5989-77-5]

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Cat# TRC-D450653-500MG

Size : 500mg

Brand : Toronto Research Chemicals


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Product Overview

Product Code

TRC-D450653

CAS Number

5989-77-5

Product Format

Neat

Molecular Formula

2 C33 H37 N5 O5 . C4 H6 O6

Molecular Weight

1317.44

API Family

Dihydroergotamine Mesylate

Product Type

API

Documentation

Where shall we send your requested SDS?

Product Information

Chemical Data

Analyte Name

Dihydroergotamine tartrate

CAS Number

5989-77-5

Molecular Formula

2 C33 H37 N5 O5 . C4 H6 O6

Molecular Weight

1317.44

Accurate Mass

1316.5754

SMILES

CN1C[C@@H](C[C@H]2[C@H]1Cc3c[nH]c4cccc2c34)C(=O)N[C@]5(C)O[C@@]6(O)[C@@H]7CCCN7C(=O)[C@H](Cc8ccccc8)N6C5=O.CN9C[C@@H](C[C@H]%10[C@H]9Cc%11c[nH]c%12cccc%10c%11%12)C(=O)N[C@]%13(C)O[C@@]%14(O)[C@@H]%15CCCN%15C(=O)[C@H](Cc%16ccccc%16)N%14C%13=O.O[C@H]([C@@H](O)C(=O)O)C(=O)O

InChI

InChI=1S/2C33H37N5O5.C4H6O6/c2*1-32(35-29(39)21-15-23-22-10-6-11-24-28(22)20(17-34-24)16-25(23)36(2)18-21)31(41)38-26(14-19-8-4-3-5-9-19)30(40)37-13-7-12-27(37)33(38,42)43-32;5-1(3(7)8)2(6)4(9)10/h2*3-6,8-11,17,21,23,25-27,34,42H,7,12-16,18H2,1-2H3,(H,35,39);1-2,5-6H,(H,7,8)(H,9,10)/t2*21-,23-,25-,26+,27+,32-,33+;1-,2-/m111/s1

IUPAC

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

Product Data

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

API Family

Dihydroergotamine Mesylate