Dihydro Ergotamine Ring-opened Acid

cas: 91653-37-1 — see every product listed under this CAS number, including other names

Dihydro Ergotamine Ring-opened Acid (CAS 91653-37-1) is a chemical reagent available from Chemat. Available pack sizes: 25mg. Offered by: TRC.

brandTRC
catalog numberTRC-D449580-25MG
cas91653-37-1
size25mg
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TRC 25mg price on request

properties

purityNo data
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Structural formula: {0} (CAS {1})

3-[(2R,5S,8S,8aS)-2-[[(6aR,9R,10aR)-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carbonyl]amino]-5-benzyl-8a-hydroxy-2-methyl-3,6-dioxo-7,8-dihydro-5H-[1,3]oxazolo[3,2-a]pyrazin-8-yl]propanoic acid (CAS 91653-37-1) is a chemical compound with the molecular formula C33H37N5O7 and a molecular weight of 615.7 g/mol. IUPAC name: 3-[(2R,5S,8S,8aS)-2-[[(6aR,9R,10aR)-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carbonyl]amino]-5-benzyl-8a-hydroxy-2-methyl-3,6-dioxo-7,8-dihydro-5H-[1,3]oxazolo[3,2-a]pyrazin-8-yl]propanoic acid. InChIKey: CXZPBEVCAUGOGC-JZPTXXQUSA-N.

Identity
Molecular formulaC33H37N5O7
Molecular weight615.7 g/mol
IUPAC name3-[(2R,5S,8S,8aS)-2-[[(6aR,9R,10aR)-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carbonyl]amino]-5-benzyl-8a-hydroxy-2-methyl-3,6-dioxo-7,8-dihydro-5H-[1,3]oxazolo[3,2-a]pyrazin-8-yl]propanoic acid
InChIKeyCXZPBEVCAUGOGC-JZPTXXQUSA-N
SMILESC[C@@]1(C(=O)N2[C@H](C(=O)N[C@H]([C@@]2(O1)O)CCC(=O)O)CC3=CC=CC=C3)NC(=O)[C@@H]4C[C@H]5[C@@H](CC6=CNC7=CC=CC5=C67)N(C4)C

Computed by PubChem (NCBI)

Synonyms: Dihydro Ergotamine Ring-opened Acid, 8'-Hydroxydihydroergotamine ring-opened acid