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HEXAHYDROISOXAZOLE,3-(1-METHYL-5-NITROIMIDAZOLYL

HCID 119263
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Basic informationNames & identifiersPropertiesChemistry & industryRelated reactionsCompound notes
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Basic information

CAS
33450-08-7
Standard SMILES
Cn1c([N+](=O)[O-])cnc1C1=NOC2CCCCC12
InChIKey
SPUUHYKZDFCYGW-UHFFFAOYSA-N
Molecular formula
C11H14N4O3
Average molar mass
250.258 g/mol
Monoisotopic mass
250.10659031

Names & identifiers

Preferred name
HEXAHYDROISOXAZOLE,3-(1-METHYL-5-NITROIMIDAZOLYL
IUPAC
3-(1-Methyl-5-nitro-1H-imidazol-2-yl)-3a,4,5,6,7,7a-hexahydro-1,2-benzoxazole
English name
MK 436
Molecular formula
C11H14N4O3
Molecular weight
250.25

Names & synonyms

MK 4361,2-Benzisoxazole, 3a,4,5,6,7,7a-hexahydro-3-(1-methyl-5-nitro-1H-imidazol-2-yl)-

Database identifiers

CAS
33450-08-7
PubChem CID
119263
DTXSID
DTXSID00874223
ChEMBL
CHEMBL5267889
UNII
78LFE455SZ
Nikkaji
J576.169G

Properties

Physicochemical properties

Boiling point
434.4 · 434.4±37.0 °C(Predicted)
Density
1.61 · 1.61±0.1 g/cm3(Predicted)
pka
-0.55 · -0.55±0.25(Predicted)
FDA UNII
78 LFE455SZ · 78LFE455SZ

Chemistry & industry

Applications

UsesMK 436 (MK-0436) is a metabolite with anti-trypanosomal activity that can be isolated from dog urine, particularly effective against Trypanosoma cruzi, the pathogen responsible for Chagas disease in South America[1][2].

Suppliers4 total

BOC Sciences1-631-485-4226; 16314854226 · [email protected]
上海陶术生物科技股份有限公司13564774135 · [email protected]
TargetMol中国(陶术生物)15002134094 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354 · [email protected]

Related reactions

1 records
New reaction record
HRID 596206 reaction equation
HRID 596206As productuspto-grants-1977_03

Compound notes

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