Dihydroergotamine mesylate
CAS Registry Number®
6190-39-2
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CAS Name
Dihydroergotamine mesylateMolecular Formula
C33H37N5O5.CH4O3SCite this Page
Dihydroergotamine mesylate. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=6190-39-2 (retrieved ) (CAS RN: 6190-39-2). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Compound Properties
Melting Point (1)
230-235 °C
Source(s)
- (1) Drugs - Synonyms and Properties data were obtained from Ashgate Publishing Co. (US)
Other Names and Identifiers
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
InChIKey
InChIKey=ADYPXRFPBQGGAH-UMYZUSPBSA-N
SMILES
O[C@@]12N([C@@H](CC3=CC=CC=C3)C(=O)N4[C@]1(CCC4)[H])C(=O)[C@@](NC(=O)[C@@H]5C[C@@]6(C=7C=8C(C[C@]6(N(C)C5)[H])=CNC8C=CC7)[H])(C)O2.S(C)(=O)(=O)O
Canonical SMILES
O=C(NC1(OC2(O)N(C1=O)C(C(=O)N3CCCC32)CC=4C=CC=CC4)C)C5CN(C)C6CC7=CNC8=CC=CC(=C87)C6C5.O=S(=O)(O)C
Other Names for this Substance
- Ergotaman-3′,6′,18-trione, 9,10-dihydro-12′-hydroxy-2′-methyl-5′-(phenylmethyl)-, (5′α,10α)-, methanesulfonate (1:1)
- Ergotaman-3′,6′,18-trione, 9,10-dihydro-12′-hydroxy-2′-methyl-5′-(phenylmethyl)-, (5′α,10α)-, monomethanesulfonate (salt)
- Ergotamine, 9,10-dihydro-, monomethanesulfonate (salt)
- Dihydroergotamine mesylate
- Dihydroergotamine methanesulfonate
Deleted or Replaced CAS Registry Numbers
122074-71-9, 37-48-9, 1381-02-8, 5707-14-2, 11041-28-4, 56532-69-5, 885319-97-1
