Naloxegol oxalate | NKTR-118 oxalate | NKTR118 oxalate | AZ-13337019 oxalate | AZ 13337019 oxalate | CAS 1354744-91-4

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HIT ID:HIT212657731
Cas No:1354744-91-4
常用名:Naloxegol oxalate
别名:NKTR-118 oxalate, NKTR118 oxalate, AZ-13337019 oxalate, AZ 13337019 oxalate
别名:NKTR-118 oxalate, NKTR118 oxalate, AZ-13337019 oxalate, AZ 13337019 oxalate
IUPAC:(1S,5R,13R,14S,17S)-14-(2,5,8,11,14,17,20-heptaoxadocosan-22-yloxy)-4-(prop-2-en-1-yl)-12-oxa-4-azapentacyclo[9.6.1.0^{1,13}.0^{5,17}.0^{7,18}]octadeca-7(18),8,10-triene-10,17-diol; oxalic acid
IUPAC:(1S,5R,13R,14S,17S)-14-(2,5,8,11,14,17,20-heptaoxadocosan-22-yloxy)-4-(prop-2-en-1-yl)-12-oxa-4-azapentacyclo[9.6.1.0^{1,13}.0^{5,17}.0^{7,18}]octadeca-7(18),8,10-triene-10,17-diol; oxalic acid
InChI key:MNYIRXLCPODKLG-VUTNLTPYSA-N

分子式:C36H55NO15
分子量:741.828
氢键供体数 (HBD):2
氢键受体数 (HBA):12
LogP:1.3564175
SMILES:OC(=O)C(O)=O.COCCOCCOCCOCCOCCOCCOCCO[C@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC=C)c45 |TLB:31:32:35.36.51:45.46.47,33:32:35.36.51:45.46.47|
SMILES:OC(=O)C(O)=O.COCCOCCOCCOCCOCCOCCOCCO[C@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC=C)c45 |TLB:31:32:35.36.51:45.46.47,33:32:35.36.51:45.46.47|

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