Basic information
- CAS
136845-59-5- Standard SMILES
O=C(O)[C@H]1C[C@@H]2C[C@H](Cc3nn[nH]n3)CC[C@@H]2CN1- InChIKey
ACTONBBIVMTUAJ-DOLQZWNJSA-N- Molecular formula
- C12H19N5O2
- Average molar mass
- 265.31 g/mol
- Monoisotopic mass
- 265.15387487
Names & identifiers
- Preferred name
- LY 233536
- IUPAC
- (3R,4aS,6R,8aS)-6-(2H-tetrazol-5-ylmethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline-3-carboxylic acid
- English name
- LY 233536
- Molecular formula
- C12H19N5O2
- Molecular weight
- 265.31
Names & synonyms
LY 233536136845-59-5LY-233536RefChem:154500LY233536(3R,4aS,6R,8aS)-6-(2H-tetrazol-5-ylmethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline-3-carboxylic acid3-Isoquinolinecarboxylic acid, decahydro-6-(2H-tetrazol-5-ylmethyl)-, (3R,4aS,6R,8aS)-GTPL4244orb1700078SCHEMBL3689650DTXSID60929566AKOS040748807
Show more names
(3R,4aβ,8aβ)-Decahydro-6α-[(1H-tetrazol-5-yl)methyl]isoquinoline-3β-carboxylic acid
3-Isoquinolinecarboxylic acid, decahydro-6-(1H-tetrazol-5-ylmethyl)-, (3R-(3alpha,4aalpha,6beta,8aalpha))-DA-75175HY-120189CS-0077110T27903Q270826716-[(2H-Tetrazol-5-yl)methyl]decahydroisoquinoline-3-carboxylic acid(3R,4aS,6R,8aS)-6-[(2H-Tetrazol-5-yl)methyl]decahydroisoquinoline-3-carboxylic acid
Database identifiers
- CAS
136845-59-5、143343-70-8- PubChem CID
- 126239
- DTXSID
DTXSID60929566- Nikkaji
- J408.230C
Properties
Computed structural properties
- XLogP
- -1.2
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 340
Physicochemical properties
- Boiling point
- 522.8 · 522.8±56.0 °C(Predicted)
- Density
- 1.306 · 1.306±0.06 g/cm3(Predicted)
- pka
- 2.43 · 2.43±0.40(Predicted)
Chemistry & industry
Applications
DescriptionLY 233536 is a novel competitive NMDA receptor antagonist.
UsesLY 233536 is a competitive NMDA receptor antagonist[1].
Suppliers4 total
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
上海陶术生物科技股份有限公司13564774135 · [email protected]
BOC Sciences+1-631-485-4226 · [email protected]
TargetMol中国（陶术生物）15002134094 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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