Metergotamine
Molecular Formula:
C34H37N5O5
InChI: InChI=1/C34H37N5O5/c1-33(32(42)39-27(15-20-9-5-4-6-10-20)31(41)38-14-8-13-28(38)34(39,43)44-33)35-30(40)22-16-24-23-11-7-12-25-29(23)21(18-36(25)2)17-26(24)37(3)19-22/h4-7,9-12,16,18,22,26-28,43H,8,13-15,17,19H2,1-3H3,(H,35,40)/t22-,26-,27+,28+,33-,34+/m1/s1/f/h35H
InChIKey: InChIKey=SZUQJDJBJHBVBO-OOXUAAFVDP
SMILES: CC1(C(=O)N2C(C(=O)N3CCCC3C2(O1)O)CC4=CC=CC=C4)NC(=O)C5CN(C6CC7=CN(C8=CC=CC(=C78)C6=C5)C)C
Names:
Metergotamina [INN-Spanish]
Metergotamina [Spanish]
Metergotamine [INN]
Metergotamine
Metergotaminum [INN-Latin]
Metergotaminum [Latin]
1-Methylergotamine
1-Methylergotamin
22336-84-1
Registries:
PubChem CID 65703
PubChem ID 207729
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