CAS: 639-81-6 - (5'alpha,8alpha)-5'-benzyl-12'-hydroxy-2'-methyl-3',6',18-trioxoergotaman

Formula: C₃₃H₃₅N₅O₅

InChI: InChI=1S/C33H35N5O5/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/h3-6,8-11,15,17,21,25-27,34,42H,7,12-14,16,18H2,1-2H3,(H,35,39)/t21-,25+,26-,27-,32+,33-/m0/s1

InChI key: InChIKey=XCGSFFUVFURLIX-BRMNWJGKSA-N

SMILES: O=C(NC1(OC2(O)N(C1=O)C(C(=O)N3CCCC32)CC=4C=CC=CC4)C)C5C=C6C=7C=CC=C8NC=C(C87)CC6N(C)C5

Synonyms:

• (5′α,8α)-12′-Hydroxy-2′-methyl-5′-(phenylmethyl)ergotaman-3′,6′,18-trione
• 12'-Hydroxy-2'-methyl-5'a-(phenylmethyl)-8a-ergotaman-3',6',18-trione
• 639-81-6
• 8H-Oxazolo[3,2-a]pyrrolo[2,1-c]pyrazine, ergotaman-3′,6′,18-trione deriv.
• Ergotaman-3′,6′,18-trione, 12′-hydroxy-2′-methyl-5′-(phenylmethyl)-, (5′α,8α)-
• Ergotaminine
• Indolo[4,3-fg]quinoline, ergotaman-3′,6′,18-trione deriv.
• Isoergotamine

Ergotaminine

CAS: 639-81-6

Alkaloids of rye ergot and their derivatives; salts thereof, nesoi

• Formula: C₃₃H₃₅N₅O₅
• Color and Shape: White Off-White Crystalline Powder
• Molecular weight: 581.26382

Ergotaminine

CAS: 639-81-6

• Formula: C₃₃H₃₅N₅O₅
• Color and Shape: Neat
• Molecular weight: 581.66

Ergotaminine dried down 25 µg/mL

CAS: 639-81-6

• Formula: C₃₃H₃₅N₅O₅
• Color and Shape: Single Solution
• Molecular weight: 581.66

Ergotaminine

CAS: 639-81-6

Ergotaminine is a drug used to treat migraine attacks. It belongs to the pharmacological agents …

• Formula: C₃₃H₃₅N₅O₅
• Purity: Min. 95%
• Molecular weight: 581.7 g/mol