dihydroergotamine

CAS 511-12-6C33H37N5O5MW 583.7

dihydroergotamine (CAS 511-12-6) — formula C33H37N5O5, molecular weight 583.7.

Product Overview

CAS Number	511-12-6
Molecular Formula	C33H37N5O5
Molecular Weight	583.7
LogP	2.4
Applications	Uses: Use (kg, approx.) in Germany (2009): >25, Consumption (g per capita, approx.) in Germany (2009): 0.000305, Calculated removal (%): 2.8, Dihydroergotamine is a 9, 10alpha-dihydro derivative of ergotamine. It is used as a vasoconstrictor, specifically for the therapy of migraine disorders. Ergoline alkaloids occurs in various species of vines of the Convolvulaceae (morning glory) family and in some species of lower fungi. (L1918, L1932) For the acute treatment of migraine headaches with or without aura and the acute treatment of cluster headache episodes., Use Classification: Pharmaceuticals

Applications

Documented applications: Uses: Use (kg, approx.) in Germany (2009): >25, Consumption (g per capita, approx.) in Germany (2009): 0.000305, Calculated removal (%): 2.8, Dihydroergotamine is a 9, 10alpha-dihydro derivative of ergotamine. It is used as a vasoconstrictor, specifically for the therapy of migraine disorders. Ergoline alkaloids occurs in various species of vines of the Convolvulaceae (morning glory) family and in some species of lower fungi. (L1918, L1932) For the acute treatment of migraine headaches with or without aura and the acute treatment of cluster headache episodes., Use Classification: Pharmaceuticals.

Technical Profile

What this product is

dihydroergotamine is a chemical compound with CAS registry number 511-12-6 and molecular formula C33H37N5O5 (molecular weight 583.7).

Identification

CAS number: 511-12-6

Its molecular formula C33H37N5O5 comprises 33 C, 37 H, 5 N, 5 O atoms.

Also known as: dihydroergotamine · 二氢麦角胺

Frequently Asked Questions

What is the CAS number of dihydroergotamine?

The CAS registry number of dihydroergotamine is 511-12-6.

What is the molecular formula and molecular weight of dihydroergotamine?

Molecular formula C33H37N5O5, molecular weight 583.7.

What other names is dihydroergotamine known by?

It is also registered under: dihydroergotamine, 二氢麦角胺.

What are the documented applications of dihydroergotamine?

Recorded applications: Uses: Use (kg, approx.) in Germany (2009): >25, Consumption (g per capita, approx.) in Germany (2009): 0.000305, Calculated removal (%): 2.8, Dihydroergotamine is a 9, 10alpha-dihydro derivative of ergotamine. It is used as a vasoconstrictor, specifically for the therapy of migraine disorders. Ergoline alkaloids occurs in various species of vines of the Convolvulaceae (morning glory) family and in some species of lower fungi. (L1918, L1932) For the acute treatment of migraine headaches with or without aura and the acute treatment of cluster headache episodes., Use Classification: Pharmaceuticals.

PubChem Public Data

Independent reference data for dihydroergotamine (CAS 511-12-6), compiled from public chemistry databases.

Registry identifiers across databases

CAS Registry Number	511-12-6
PubChem CID	10531
Molecular formula	C33H37N5O5
IUPAC name	(6aR,9R,10aR)-N-[(1S,2S,4R,7S)-7-benzyl-2-hydroxy-4-methyl-5,8-dioxo-3-oxa-6,9-diazatricyclo[7.3.0.02,6]dodecan-4-yl]-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide
UNII (FDA)	436O5HM03C

Computed descriptors

Molecular Weight	583.7
XLogP3	2.4
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	4
Exact Mass	583.27946930
Monoisotopic Mass	583.27946930
Topological Polar Surface Area	118
Heavy Atom Count	43

Physicochemical values on record

Solubility	2.29e-01 g/L

Documented uses on record

Synonyms and trade names

dihydroergotamine; 511-12-6; 9,10-Dihydroergotamine; Dihidroergotamina; Dihydroergotaminum; Neomigran; Diidroergotamina; Agit; MAP0004; DTXSID6045614; MAP-0004; 436O5HM03C; CHEBI:4562; DTXCID4025614; 5'-Benzyl-12'-hydroxy-2'-methyl-3',6',18-trioxo-9,10-dihydroergotaman; 9,10-Dihydro-12'-hydroxy-2'-methyl-5'-(phenylmethyl)ergotoman-3',6',18-trione

GHS hazard classification

Reported hazard statements	H302 (66.7%), H312 (33.3%), H332 (66.7%)

H302 (66.7%): Harmful if swallowed [Warning Acute toxicity, oral]

H312 (33.3%): Harmful in contact with skin [Warning Acute toxicity, dermal]

What the public record says

dihydroergotamine · CAS 511-12-6 · C33H37N5O5. UNII 436O5HM03C. Solubility: 2.29e-01 g/L.

Physical description and handling notes

Source: PubChem / Wikidata; the batch COA governs where values differ.