JDTIC (2HCL)

CAS No.
785835-79-2
CCD No.
CCD07398177
Formula
C28 H39 N3 O3 . 2 Cl H
MolWeight
538.556

Basic Information

Product Name: JDTIC (2HCL)
CAS: 785835-79-2
English Synonyms: JDTIC (2HCL) ; JDTIC (DIHYDROCHLORIDE) ; (3R)-7-HYDROXY- N-((1S)-1-{[(3R,4R)-4- (3-HYDROXYPHENYL)- 3,4-DIMETHYLPIPERIDIN- 1-YL]METHYL}- 2-METHYLPROPYL)- 1,2,3,4-, TETRAH
MDL Number.: MFCD22419279
H bond acceptor: 6
H bond donor: 4
Smile: C[C@H]1CN(CC[C@@]1(C)c2cccc(c2)O)C[C@H](C(C)C)NC(=O)[C@H]3Cc4ccc(cc4CN3)O.Cl.Cl
InChi: InChI=1S/C28H39N3O3.2ClH/c1-18(2)26(30-27(34)25-13-20-8-9-24(33)12-21(20)15-29-25)17-31-11-10-28(4,19(3)16-31)22-6-5-7-23(32)14-22;;/h5-9,12,14,18-19,25-26,29,32-33H,10-11,13,15-17H2,1-4H3,(H,30,34);2*1H/t19-,25+,26+,28+;;/m0../s1
InChiKey: InChIKey=QJNHURYCTCUGHH-AVWZHOAASA-N

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