L 11204
Basic information
- CAS
55308-64-0- Standard SMILES
CCOc1cccc(-c2nc3n(n2)CCc2ccccc2-3)c1- InChIKey
NZDDMKIDRQAGND-UHFFFAOYSA-N- Molecular formula
- C18H17N3O
- Average molar mass
- 291.3 g/mol
- Monoisotopic mass
- 291.13716217
Overview
antifertility agent in vivo; inhibitor of prostaglandin synthesis; structure
Names & identifiers
- Preferred name
- L 11204
- IUPAC
- 2-(3-ethoxyphenyl)-5,6-dihydro-[1,2,4]triazolo[5,1-a]isoquinoline
- English name
- L 11204
- Molecular formula
- C18H17N3O
- Molecular weight
- 0
Names & synonyms
55308-64-0L 11204L-11204DL-204DTXSID302038605,6-dihydro-2-(3-ethoxyphenyl)-s-triazolo(5,1-a)isoquinoline(1,2,4)Triazolo(5,1-a)isoquinoline, 2-(3-ethoxyphenyl)-5,6-dihydro-[1,2,4]Triazolo[5,1-a]isoquinoline, 2-(3-ethoxyphenyl)-5,6-dihydro-RefChem:151611DTXCID601263512-(3-Ethoxyphenyl)-5,6-dihydro-s-triazolo(5,1-a)isoquinoline2-(3-ethoxyphenyl)-5,6-dihydro-[1,2,4]triazolo[5,1-a]isoquinoline
Show more names
DL-204ITDL-204-IT2-(3-ethoxy-phenyl)-5,6-dihydro-s-triazoleisoquinoline5,6-Dihydro-2-(3-ethoxyphenyl)[1,2,4]triazolo[5,1-a]isoquinoline
2-(3-ethoxyphenyl)-5,6-dihydro[1,2,4]triazolo[5,1-a]isoquinoline2-(3-ethoxyphenyl)-5,6-dihydro-s-triazole(5,1-a)isoquinoline2-(3-ethoxyphenyl)-5,6-dihydro-(1,2,4)triazolo(5,1-a)isoquinolineDL 204IT2-(3-Ethoxyphenyl)-5,6-dihydro-s-triazolo[5,1-a]isoquinolineDL 204-ITDL 204BRN 0892393
Database identifiers
- CAS
55308-64-0- PubChem CID
- 119282
- DTXSID
DTXSID30203860- UNII
- P5KT3ZA5PD
- Nikkaji
- J22.702A
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 39.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 377
Physicochemical properties
- Melting point
- 102.5 °C · 102.5°C
- Boiling point
- 433.36 °C · 433.36°C (rough estimate)
- Density
- 1.1589 · 1.1589 (rough estimate)
- refractive index
- 1.5855 · 1.5855 (estimate)
- FDA UNII
- 5 KT3ZA5PD · P5KT3ZA5PD
Chemistry & industry
Applications
UsesL11204 (DL-204-IT) is a potent inhibitor of prostaglandin metabolism. L11204 inhibits PMS-induced superovulation and reduced the number of recoverable ova in the oviducts of hamsters. L11204 also inhibits chorionic gonadotrophin-induced ovarian hypertrophy and steroidogenesi in rats. L11204 is promising for research of reproductive system disorders[1][2].
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Related reactions
2 records
Compound notes
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