Products 401519-96-8

CAS 401519-96-8 appears in our catalog under these names: NCX 1000, NCX 1000, NCX 1000, 96.19%. Offered by: GLPBio, Biosynth, MedChemExpress. Available pack sizes: 1mg, 10mg, 20mg, 5mg, 25mg, 50mg, Get quote.

NCX 1000
GLPBio
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  • Variants: 4
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NCX 1000
Biosynth
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  • Variants: 5
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NCX 1000, 96.19%
MedChemExpress
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Structural formula: {0} (CAS {1})

[2-methoxy-4-[(E)-3-(4-nitrooxybutoxy)-3-oxoprop-1-enyl]phenyl] (4R)-4-[(3R,5S,7S,8R,9S,10S,13R,14S,17R)-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate (CAS 401519-96-8) is a chemical compound with the molecular formula C38H55NO10 and a molecular weight of 685.8 g/mol. IUPAC name: [2-methoxy-4-[(E)-3-(4-nitrooxybutoxy)-3-oxoprop-1-enyl]phenyl] (4R)-4-[(3R,5S,7S,8R,9S,10S,13R,14S,17R)-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate. InChIKey: WTAVOESJEWSDJC-OBOLPPCUSA-N.

Identity
Molecular formulaC38H55NO10
Molecular weight685.8 g/mol
IUPAC name[2-methoxy-4-[(E)-3-(4-nitrooxybutoxy)-3-oxoprop-1-enyl]phenyl] (4R)-4-[(3R,5S,7S,8R,9S,10S,13R,14S,17R)-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate
InChIKeyWTAVOESJEWSDJC-OBOLPPCUSA-N
SMILESC[C@H](CCC(=O)OC1=C(C=C(C=C1)/C=C/C(=O)OCCCCO[N+](=O)[O-])OC)[C@H]2CC[C@@H]3[C@@]2(CC[C@H]4[C@H]3[C@H](C[C@H]5[C@@]4(CC[C@H](C5)O)C)O)C

Computed by PubChem (NCBI)

Synonyms: no-ursodeoxycholic acid, ,NO-UDCA, orb1706122