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Details

Stereochemistry ABSOLUTE
Molecular Formula C37H59N13O13.3ClH
Molecular Weight 1003.326
Optical Activity UNSPECIFIED
Defined Stereocenters 13 / 13
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of CINODINE II HYDROCHLORIDE

SMILES

Cl.Cl.Cl.C[C@H]1O[C@H](OC2=CC=C(\C=C\C(=O)NCCCNCCCCN)C=C2)[C@H](NC(N)=N)[C@@H](O)[C@@H]1NC(=O)N[C@H]3OC[C@@H](O[C@@H]4OC[C@H]5OC(=O)N[C@@H]5[C@H]4NC(N)=O)[C@H](O)[C@H]3NC(N)=O

InChI

InChIKey=QBDMTLDJLHPTCX-ZTSWYXKUSA-N
InChI=1S/C37H59N13O13.3ClH/c1-17-23(29(53)27(45-33(39)40)32(60-17)61-19-8-5-18(6-9-19)7-10-22(51)44-14-4-13-43-12-3-2-11-38)48-36(56)50-30-26(47-35(42)55)28(52)21(16-58-30)62-31-25(46-34(41)54)24-20(15-59-31)63-37(57)49-24;;;/h5-10,17,20-21,23-32,43,52-53H,2-4,11-16,38H2,1H3,(H,44,51)(H,49,57)(H4,39,40,45)(H3,41,46,54)(H3,42,47,55)(H2,48,50,56);3*1H/b10-7+;;;/t17-,20-,21-,23-,24+,25-,26-,27-,28+,29+,30+,31+,32-;;;/m1.../s1

HIDE SMILES / InChI

Approval Year

Name Type Language
ANTIBIOTIC BM-123.GAMMA.2 HYDROCHLORIDE
Preferred Name English
CINODINE II HYDROCHLORIDE
Common Name English
CINODINE .GAMMA.(SUB 2)HYDROCHLORIDE
Common Name English
Code System Code Type Description
PUBCHEM
72941591
Created by admin on Mon Mar 31 18:33:32 GMT 2025 , Edited by admin on Mon Mar 31 18:33:32 GMT 2025
PRIMARY
CAS
68681-93-6
Created by admin on Mon Mar 31 18:33:32 GMT 2025 , Edited by admin on Mon Mar 31 18:33:32 GMT 2025
PRIMARY
FDA UNII
KGJ2ICY09M
Created by admin on Mon Mar 31 18:33:32 GMT 2025 , Edited by admin on Mon Mar 31 18:33:32 GMT 2025
PRIMARY
NCI_THESAURUS
C90682
Created by admin on Mon Mar 31 18:33:32 GMT 2025 , Edited by admin on Mon Mar 31 18:33:32 GMT 2025
PRIMARY