Basic information
- CAS
87896-53-5- Standard SMILES
O=C(O)CCc1cc(O)c2n(c1=O)C(C(=O)O)CCC2- InChIKey
UJJUUOQJYAUBKD-UHFFFAOYSA-N- Molecular formula
- C13H15NO6
- Average molar mass
- 281.26 g/mol
- Monoisotopic mass
- 281.0899372
Overview
from Streptomyces chromofuscus; structure given in second source
Names & identifiers
- Preferred name
- A 58365B
- IUPAC
- 7-(2-carboxyethyl)-9-hydroxy-6-oxo-1,2,3,4-tetrahydroquinolizine-4-carboxylic acid
- English name
- A 58365B
- Molecular formula
- C13H15NO6
- Molecular weight
- 281.26
Names & synonyms
87896-53-5A-58365BA 58365BA58365B2H-Quinolizine-7-propanoic acid, 4-carboxy-1,3,4,6-tetrahydro-9-hydroxy-6-oxo-4-Carboxy-1,3,4,6-tetrahydro-9-hydroxy-6-oxo-2H-quinolizine-7-propanoic acid7-(2-carboxyethyl)-9-hydroxy-6-oxo-1,2,3,4-tetrahydroquinolizine-4-carboxylic acidRefChem:108307A 58365 Borb170138187896-53-5 (B)DTXSID201007847
Show more names
(+/-)-1-aza-5-hydroxy-10-carboxy-3-(2-carboxyethyl)-2-oxobicyclodec-3,5-dione, (A58365B)
AKOS040747655DA-60661HY-121180CS-0079614T264237-(2-carboxyethyl)-9-hydroxy-6-oxo-1,3,4,6-tetrahydro-2H-quinolizine-4-carboxylic acid
Database identifiers
- CAS
87896-53-5- PubChem CID
- 137366
- DTXSID
DTXSID201007847- Nikkaji
- J227.571F
Properties
Computed structural properties
- XLogP
- -0.1
- Topological polar surface area
- 115 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 533
Chemistry & industry
Applications
DescriptionA 58365 B is an angiotensin converting enzyme (ACE) inhibitor isolated from Streptomyces chromofuscus. It is used to treat hypertension and congestive heart failure.
UsesA-58365B is an Angiotensin-converting Enzyme (ACE) inhibitor. A-58365B has antihypertensive effects[1].
Suppliers2 total
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [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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