CAS 88660-47-3

(5′α,10α)-9,10-Dihydro-12′-hydroxy-2′-(1-methylethyl)-5′-[(1R)-1-methylpropyl]ergotaman-3′,6′,18-trione

Description:

The chemical substance known as (5′α,10α)-9,10-Dihydro-12′-hydroxy-2′-(1-methylethyl)-5′-[(1R)-1-methylpropyl]ergotaman-3′,6′,18-trione, with the CAS number 88660-47-3, is a member of the ergot alkaloid family, which are naturally occurring compounds derived from the fungus Claviceps purpurea. This compound exhibits a complex polycyclic structure characterized by multiple chiral centers, contributing to its stereochemistry and biological activity. It possesses hydroxyl groups that may enhance its solubility and reactivity, and the presence of various alkyl substituents can influence its pharmacological properties. Ergot alkaloids are known for their diverse effects on the central nervous system and vascular system, often interacting with neurotransmitter receptors. The specific functional groups and stereochemistry of this compound suggest potential applications in medicinal chemistry, particularly in the development of drugs targeting neurological disorders or vascular conditions. However, detailed studies on its pharmacodynamics, toxicity, and therapeutic potential would be necessary to fully understand its characteristics and applications.

Formula: C₃₂H₄₃N₅O₅

InChI: InChI=1S/C32H43N5O5/c1-6-18(4)27-29(39)36-12-8-11-25(36)32(41)37(27)30(40)31(42-32,17(2)3)34-28(38)20-13-22-21-9-7-10-23-26(21)19(15-33-23)14-24(22)35(5)16-20/h7,9-10,15,17-18,20,22,24-25,27,33,41H,6,8,11-14,16H2,1-5H3,(H,34,38)/t18-,20-,22-,24-,25+,27+,31-,32+/m1/s1

InChI key: InChIKey=SBFXHXZNBNFPHV-PXXBSISHSA-N

SMILES: O[C@]12N(C(=O)[C@@](NC(=O)[C@@H]3C[C@@]4(C=5C=6C(C[C@]4(N(C)C3)[H])=CNC6C=CC5)[H])([C@H](C)C)O1)[C@@]([C@@H](CC)C)(C(=O)N7[C@]2(CCC7)[H])[H]

Synonyms:

• (5'alpha,10alpha)-5'-[(2R)-butan-2-yl]-12'-hydroxy-3',6',18-trioxo-2'-(propan-2-yl)-9,10-dihydroergotaman
• (5′α,10α)-9,10-Dihydro-12′-hydroxy-2′-(1-methylethyl)-5′-[(1R)-1-methylpropyl]ergotaman-3′,6′,18-trione
• (R)-9,10-Dihydro-β-ergocryptine
• (R)-Dihydro-β-ergocryptine
• 9,10alpha-Dihydro-13'-epi-beta-ergocryptine
• Dcn 203-922
• Epicriptina
• Epicriptina [Spanish]
• Epicriptine [INN]
• Epicriptinum
• Epicriptinum [Latin]
• Ergotaman-3′,6′,18-trione, 9,10-dihydro-12′-hydroxy-2′-(1-methylethyl)-5′-(1-methylpropyl)-, [5′α(R),10α]-
• Ergotaman-3′,6′,18-trione, 9,10-dihydro-12′-hydroxy-2′-(1-methylethyl)-5′-[(1R)-1-methylpropyl]-, (5′α,10α)-
• Unii-5M64643B5U
• [5′(R)]-Dihydro-β-ergocryptine

(R)-9,10-Dihydro-β-ergocryptine

Controlled Product

CAS: 88660-47-3

Formula: C₃₂H₄₃N₅O₅

Color and Shape: Neat

Molecular weight: 577.714

Ref: TR-D450033

Epicriptine

CAS: 88660-47-3

Epicriptine, an ergoline dopamine agonist, forms 1/3 of dihydroergocryptine; differs from alpha form by one methyl position.

Formula: C₃₂H₄₃N₅O₅

Color and Shape: Solid

Molecular weight: 577.71

Ref: TM-T68440