Ermetrin
Basic information
- CAS
129-51-1- Standard SMILES
CC(CO)NC(=O)C1C=C2c3cccc4[nH]cc(c34)CC2N(C)C1.O=C(O)/C=C\C(=O)O- InChIKey
YREISLCRUMOYAY-BTJKTKAUSA-N- Molecular formula
- C23H27N3O6
- Average molar mass
- 441.5 g/mol
- Monoisotopic mass
- 441.18998559
Names & identifiers
- Preferred name
- Ermetrin
- IUPAC
- (Z)-but-2-enedioic acid;N-(1-hydroxypropan-2-yl)-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide
Names & synonyms
MetriclavinErmetrinErgometrin maleateD-Ergonovine maleateErgometrine acid maleateOxytocicErgonovine, maleate (1:1) (salt)NSC93752PD118300WLN: T C6656 1A P GN LM CUTT & & J EVMY1 & 1Q G1 & OV1U1VOErgoline-8-.beta.-carboxamide,10-didehydro-N-((S)-2-hydroxy-1-methylethyl)-6-methyl-, maleate (1:1) (salt)Ergoline-8-carboxamide,10-didehydro-N-(2-hydroxy-1-methylethyl)-6-methyl-, [8.beta.(S)]-, (Z)-2-butenedioate (1:1) (salt)
Show more names
Ergoline-8.beta.-carboxamide,10-didehydro-N-((S)-2-hydroxy-1-methylethyl)-6-methyl-, maleate (1:1) (salt)
Database identifiers
- CAS
129-51-1- PubChem CID
- 5380392
Properties
Computed structural properties
- Topological polar surface area
- 143 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 654
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Related reactions
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Compound notes
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