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Nalfurafine structure, CAS 152658-17-8

Nalfurafine

CAS Number152658-17-8

SynonymsD06405; Nalfurafine hydrochloride (JAN); AC-820; Nalfurafine hydrochloride; TRK-820

Molecular FormulaC28H33ClN2O5

Molecular Weight513.0321

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Cat. No.: 2A-1195185 Purity:
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Quality Control of [ 152658-17-8 ] SDS Specification MoL

COA NMR CNMR HPLC LC-MS
Chemical & Physical Properties
CAS Number152658-17-8
Catalog No.2A-1195185
SynonymsD06405; Nalfurafine hydrochloride (JAN); AC-820; Nalfurafine hydrochloride; TRK-820
Molecular FormulaC28H33ClN2O5
Molecular Weight513.0321
PubChem ID12014933
SMILES[Cl-].CN([C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC6CC6)c45)C(=O)\C=C\c7cocc7.[H+]
InChIInChI=1S/C28H32N2O5.ClH/c1-29(23(32)7-4-18-9-13-34-16-18)20-8-10-28(33)22-14-19-5-6-21(31)25-24(19)27(28,26(20)35-25)11-12-30(22)15-17-2-3-17;/h4-7,9,13,16-17,20,22,26,31,33H,2-3,8,10-12,14-15H2,1H3;1H/b7-4+;/t20-,22-,26+,27+,28-;/m1./s1
InChI KeyInChIKey=DJSFYNINGIMKAG-FQJQBBMWSA-N
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