Basic information
- CAS
61241-59-6- Standard SMILES
[C-]#[N+]C(C(=O)OCC(O)C(O)C(O)C(O)COC(=O)C([N+]#[C-])=C(C)C)=C(C)C- InChIKey
YEMJVHOPMVQUGS-UHFFFAOYSA-N- Molecular formula
- C18H24N2O8
- Average molar mass
- 396.4 g/mol
- Monoisotopic mass
- 396.15326573
Names & identifiers
- Preferred name
- Antibiotic A 32390A
- IUPAC
- [2,3,4,5-tetrahydroxy-6-(2-isocyano-3-methylbut-2-enoyl)oxyhexyl] 2-isocyano-3-methylbut-2-enoate
- English name
- D-Mannitol 1,6-bis(2-isocyano-3-methyl-2-butenoate)
- Molecular weight
- 0
Names & synonyms
Antibiotic A 32390A[2,3,4,5-tetrahydroxy-6-(2-isocyano-3-methylbut-2-enoyl)oxyhexyl] 2-isocyano-3-methylbut-2-enoate(2,3,4,5-tetrahydroxy-6-(2-isocyano-3-methylbut-2-enoyl)oxyhexyl) 2-isocyano-3-methylbut-2-enoateRefChem:1077058d-mannitol 1,6-bis(2-isocyano-3-methyl-2-butenoate)1,6-Di-O-(2-isocyano-3-methylcrotonyl)-D-mannitolA 32390A1,6-Di-O-2-isocyano-3-methylcrotonyl-D-mannitolorb1701326DTXSID40976750D-MANNITOL, 1,6-BIS(2-ISOCYANO-3-METHYL-2-BUTENOATE)AKOS040747704
Show more names
32390AA-32390AAntibiotic A-32390A1-O,6-O-Bis(2-isocyano-3-methyl-2-butenoyl)-D-mannitol
T264791,6-bis-O-(2-isocyano-3-methylbut-2-enoyl)hexitol
Database identifiers
- CAS
61241-59-6
Properties
Computed structural properties
- XLogP
- 0.3
- Topological polar surface area
- 142 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 11
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 680
Physicochemical properties
- Toxicity
- 50 intraperitoneal · LD50 intraperitoneal in mouse: > 1gm/kg
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Toxicity
- LD50 intraperitoneal in mouse: > 1gm/kg
Chemistry & industry
Applications
UsesA32390A is a dopamine β-hydroxylase inhibitor and copper chelator. A32390A can inhibit the synthesis of norepinephrine, which helps lower blood pressure in DOCA hypertensive rats. A32390A can be used in research on hypertension, bacterial infections, and metabolic disorders[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
Loading…