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D2763

Sigma-Aldrich

Dihydroergotamine methanesulfonate salt

powder

Empirical Formula (Hill Notation):
C33H37N5O5 · CH4O3S
CAS Number:
Molecular Weight:
679.78
EC Number:
MDL number:
PubChem Substance ID:
NACRES:
NA.77

form

powder

color

white

solubility

methanol: 21 mg/mL
45% (w/v) aq 2-hydroxypropyl-β-cyclodextrin: 5.45 mg/mL
H2O: insoluble

SMILES string

CS(O)(=O)=O.[H][C@@]12Cc3c[nH]c4cccc(C1C[C@H](CN2C)C(=O)N[C@]5(C)O[C@]6(O)N([C@@H](Cc7ccccc7)C(=O)N8CCC[C@@]68[H])C5=O)c34

InChI

1S/C33H37N5O5.CH4O3S/c1-32(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;1-5(2,3)4/h3-6,8-11,17,21,23,25-27,34,42H,7,12-16,18H2,1-2H3,(H,35,39);1H3,(H,2,3,4)/t21-,23?,25-,26+,27+,32-,33+;/m1./s1

InChI key

ADYPXRFPBQGGAH-WVVAGBSPSA-N

Gene Information

human ... DRD2(1813)

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Biochem/physiol Actions

Agonist at vascular serotonin receptors; partial agonist at α-adrenergic and dopamine D2 receptors; vasoconstrictor.

Pictograms

Exclamation mark

Signal Word

Warning

Hazard Statements

Hazard Classifications

Acute Tox. 4 Dermal - Acute Tox. 4 Inhalation

Storage Class Code

11 - Combustible Solids

WGK

WGK 3

Flash Point(C)

Not applicable

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Certificate of Analysis

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Certificate of Origin

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Product Information Sheet

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