semapimod hydrochloride dihydrate (Q27259282)

UNII-49H2LZA8OM (English)

14 October 2016

canonical SMILES

CC(=NN=C(N)N)C1=CC(=CC(=C1)NC(=O)CCCCCCCCC(=O)NC2=CC(=CC(=C2)C(=NN=C(N)N)C)C(=NN=C(N)N)C)C(=NN=C(N)N)C.O.O.Cl.Cl.Cl.Cl

1 reference

UNII-49H2LZA8OM (English)

14 October 2016

isomeric SMILES

C/C(=N\N=C(N)N)/C1=CC(=CC(=C1)NC(=O)CCCCCCCCC(=O)NC2=CC(=CC(=C2)/C(=N/N=C(N)N)/C)/C(=N/N=C(N)N)/C)/C(=N/N=C(N)N)/C.O.O.Cl.Cl.Cl.Cl

1 reference

UNII-49H2LZA8OM (English)

InChI=1S/C34H52N18O2.4ClH.2H2O/c1-19(45-49-31(35)36)23-13-24(20(2)46-50-32(37)38)16-27(15-23)43-29(53)11-9-7-5-6-8-10-12-30(54)44-28-17-25(21(3)47-51-33(39)40)14-26(18-28)22(4)48-52-34(41)42;;;;;;/h13-18H,5-12H2,1-4H3,(H,43,53)(H,44,54)(H4,35,36,49)(H4,37,38,50)(H4,39,40,51)(H4,41,42,52);4*1H;2*1H2/b45-19+,46-20+,47-21+,48-22+;;;;;;

14 October 2016

Identifiers

InChI

1 reference

UNII-49H2LZA8OM (English)

DTXGBQMVCSZIAM-OBDKKVINSA-N

14 October 2016

InChIKey

1 reference

Global Substance Registration System

UNII-49H2LZA8OM (English)

14 October 2016

1 reference

UNII

49H2LZA8OM

semapimod hydrochloride dihydrate (English)

14 October 2016

1 reference

N,N'-Bis{3,5-bis[(1E)-N-carbamimidoylethanehydrazonoyl]phenyl}decanediamide tetrahydrochloride dihydrate (English)

14 October 2016

2 references

UNII-49H2LZA8OM (English)

matched by identifier from

14 October 2016

InChIKey

DTXGBQMVCSZIAM-OBDKKVINSA-N

1 reference

2 references

Global Substance Registration System

UNII

49H2LZA8OM

semapimod hydrochloride dihydrate (English)