NALTRINDOLE ISOTHIOCYANATE HYDROCHLORIDE

CAS No.
126876-64-0
CCD No.
CCD00076989
Formula
C27 H25 N3 O3 S
MolWeight
471.578

Basic Information

Product Name: NALTRINDOLE ISOTHIOCYANATE HYDROCHLORIDE
CAS: 126876-64-0
English Synonyms: NALTRINDOLE ISOTHIOCYANATE HYDROCHLORIDE ; NTII HYDROCHLORIDE
MDL Number.: MFCD00153846
H bond acceptor: 6
H bond donor: 3
Smile: c1cc2c3c([nH]c2c(c1)N=C=S)[C@H]4[C@@]56CCN([C@@H]([C@@]5(C3)O)Cc7c6c(c(cc7)O)O4)CC8CC8
InChi: InChI=1S/C27H25N3O3S/c31-19-7-6-15-10-20-27(32)11-17-16-2-1-3-18(28-13-34)22(16)29-23(17)25-26(27,21(15)24(19)33-25)8-9-30(20)12-14-4-5-14/h1-3,6-7,14,20,25,29,31-32H,4-5,8-12H2/t20-,25+,26+,27-/m1/s1
InChiKey: InChIKey=STOXPPZNSYPOHZ-BQRPEJFJSA-N

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