Product Information
Name:Dihydro Ergotamine Ring-opened Acid
Controlled Product
Synonyms:
- (5'α,10α)-9,10-Dihydro-12'-hydroxy-2'-methyl-3',6',18-trioxo-5'-(phenylmethyl)-7',8'-secoergotaman-8'-oic Acid
Brand:TRC
Description:Applications Dihydro Ergotamine Ring-opened Acid is a metabolite of Dihydroergotamine (6190-39-2).References Maurer, G. et al.: Eur. J. Clin. Pharmacol., 26, 463 (1984);
Notice:Our products are intended for lab use only. For any other use, please contact us.
Chemical properties
Molecular weight:615.676
Formula:C33H37N5O7
Color/Form:Neat
InChI:InChI=1S/C33H37N5O7/c1-32(36-29(41)20-14-22-21-9-6-10-23-28(21)19(16-34-23)15-24(22)37(2)17-20)31(43)38-25(13-18-7-4-3-5-8-18)30(42)35-26(11-12-27(39)40)33(38,44)45-32/h3-10,16,20,22,24-26,34,44H,11-15,17H2,1-2H3,(H,35,42)(H,36,41)(H,39,40)/t20-,22-,24-,2
InChI key:InChIKey=CXZPBEVCAUGOGC-PANVYSLLSA-N
SMILES:CN1C[C@H](C(=O)N[C@]2(C)O[C@@]3(O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc4ccccc4)N3C2=O)CC2c3cccc4[nH]cc(c34)C[C@H]21
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