Dihydroergotamine mesylate

Catalog Number	ACM6190392
CAS Number	6190-39-2
Structure
Synonyms	Dihydroergotamine methanesulfonate
Molecular Weight	679.8
InChI	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-UMYZUSPBSA-N
Melting Point	232 °C
Purity	98%+
Complexity	1260
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	7
Exact Mass	679.26758446
Heavy Atom Count	48
Hydrogen Bond Acceptor Count	9
Hydrogen Bond Donor Count	4
Isomeric SMILES	C[C@@]1(C(=O)N2[C@H](C(=O)N3CCC[C@H]3[C@@]2(O1)O)CC4=CC=CC=C4)NC(=O)[C@@H]5C[C@H]6[C@@H](CC7=CNC8=CC=CC6=C78)N(C5)C.CS(=O)(=O)O
Monoisotopic Mass	679.26758446
PhysicalState	Powder
Rotatable Bond Count	4
Topological Polar Surface Area	181 Ų

Custom Q&A

What is the chemical name of the compound referred to as DIHYDROERGOTAMINE MESYLATE?

The chemical name of the compound is DIHYDROERGOTAMINE MESYLATE.

What are some synonyms for DIHYDROERGOTAMINE MESYLATE?

Some synonyms for DIHYDROERGOTAMINE MESYLATE include dihydroergotoxin, dihydro-ergotoxin, DIHYDROERGOTAMINE METHANESULFONATE, and others.

What is the molecular formula of DIHYDROERGOTAMINE MESYLATE?

The molecular formula is C34H41N5O8S.

What is the molecular weight of DIHYDROERGOTAMINE MESYLATE?

The molecular weight is 679.78.

What is the solubility of DIHYDROERGOTAMINE MESYLATE in methanol?

The solubility in methanol is 21 mg/mL.

What is the color and form of DIHYDROERGOTAMINE MESYLATE?

It is in the form of a white powder.

What are the hazard codes associated with DIHYDROERGOTAMINE MESYLATE?

The hazard code is Xn.

What is the risk statement associated with DIHYDROERGOTAMINE MESYLATE?

The risk statement is 20/21/22.

Which company originated DIHYDROERGOTAMINE MESYLATE under the name Redergin?

The company Lek originated DIHYDROERGOTAMINE MESYLATE under the name Redergin.

What is a therapeutic function of DIHYDROERGOTAMINE MESYLATE?

DIHYDROERGOTAMINE MESYLATE functions as a vasodilator.

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