Metergoline
CAS Registry Number®
17692-51-2
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CAS Name
MetergolineMolecular Formula
C25H29N3O2Molecular Mass
403.52Cite this Page
Metergoline. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=17692-51-2 (retrieved ) (CAS RN: 17692-51-2). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Compound Properties
Melting Point (1)
146-149 °C
Source(s)
- (1) Drugs - Synonyms and Properties data were obtained from Ashgate Publishing Co. (US)
Other Names and Identifiers
InChI
InChI=1S/C25H29N3O2/c1-27-14-18(13-26-25(29)30-16-17-7-4-3-5-8-17)11-21-20-9-6-10-22-24(20)19(12-23(21)27)15-28(22)2/h3-10,15,18,21,23H,11-14,16H2,1-2H3,(H,26,29)/t18-,21+,23+/m0/s1
InChIKey
InChIKey=WZHJKEUHNJHDLS-QTGUNEKASA-N
SMILES
CN1C2=C3C([C@@]4([C@@](CC3=C1)(N(C)C[C@H](CNC(OCC5=CC=CC=C5)=O)C4)[H])[H])=CC=C2
Canonical SMILES
O=C(OCC=1C=CC=CC1)NCC2CN(C)C3CC4=CN(C5=CC=CC(=C54)C3C2)C
Other Names for this Substance
- Carbamic acid, N-[[(8β)-1,6-dimethylergolin-8-yl]methyl]-, phenylmethyl ester
- Carbamic acid, [(1,6-dimethylergolin-8β-yl)methyl]-, benzyl ester
- Carbamic acid, [[(8β)-1,6-dimethylergolin-8-yl]methyl]-, phenylmethyl ester
- Lysergamine, N-carboxy-9,10-dihydro-1-methyl-, benzyl ester
- Indolo[4,3-fg]quinoline, carbamic acid deriv.
