CAS: 17479-19-5 - Dihydroergocristine

Formula: C₃₅H₄₁N₅O₅

InChI: InChI=1S/C35H41N5O5/c1-20(2)34(37-31(41)23-16-25-24-11-7-12-26-30(24)22(18-36-26)17-27(25)38(3)19-23)33(43)40-28(15-21-9-5-4-6-10-21)32(42)39-14-8-13-29(39)35(40,44)45-34/h4-7,9-12,18,20,23,25,27-29,36,44H,8,13-17,19H2,1-3H3,(H,37,41)/t23-,25-,27-,28+,29+,34-,35+/m1/s1

InChI key: InChIKey=DEQITUUQPICUMR-HJPBWRTMSA-N

SMILES: O=C(NC1(OC2(O)N(C1=O)C(C(=O)N3CCCC32)CC=4C=CC=CC4)C(C)C)C5CN(C)C6CC7=CNC8=CC=CC(=C87)C6C5

Synonyms:

• (5'A,10A)-5'-Benzyl-12'-Hydroxy-3',6',18-Trioxo-2'-(Propan-2-Yl)-9,10-Dihydroergotaman
• (5'Alpha,10Alpha)-5'-Benzyl-12'-Hydroxy-3',6',18-Trioxo-2'-(Propan-2-Yl)-9,10-Dihydroergotaman
• (5'a,10a)-9,10-Dihydro-12'-hydroxy-2'-(1-methylethyl)-5'-(phenylmethyl)erotaman-3',6',18-trione
• (5'alpha,10alpha)-5'-Benzyl-12'-hydroxy-2'-isopropyl-3',6',18-trioxo-9,10-dihydroergotaman
• (5′α,10α)-9,10-Dihydro-12′-hydroxy-2′-(1-methylethyl)-5′-(phenylmethyl)ergotaman-3′,6′,18-trione
• 17479-19-5
• 8H-Oxazolo[3,2-a]pyrrolo[2,1-c]pyrazine, ergotaman-3′,6′,18-trione deriv.
• 9,10-Dihydroergocristine
• Dihydroergocristin
• Ergocristine, 9,10-dihydro-
• Ergocristine, dihydro-
• Ergotaman, 9,10-Dihydro-12'-Hydroxy-2'-(1-Methylethyl)-3',6',18-Trioxo-5'-(Phenylmethyl)-, (5'Alpha,10Alpha)-
• Ergotaman-3′,6′,18-trione, 9,10-dihydro-12′-hydroxy-2′-(1-methylethyl)-5′-(phenylmethyl)-, (5′α,10α)-
• Indolo[4,3-fg]quinoline, ergotaman-3′,6′,18-trione deriv.
• NSC 409663

Dihydro Ergotamine Mesylate EP Impurity E (9,10-Dihydroergocristine)

CAS: 17479-19-5

• Formula: C₃₅H₄₁N₅O₅
• Molecular weight: 611.75

Dihydroergocristine

CAS: 17479-19-5

• Formula: C₃₅H₄₁N₅O₅
• Color and Shape: Neat
• Molecular weight: 611.73