(Q27114246)

Benzyl 2-({[4-(carbamimidamidomethyl)cyclohexyl]carbonyl}oxy)benzoate hydrochloride (1:1) (English)

6 October 2016

chemical formula

C₂₃H₂₈ClN₃O₄

0 references

canonical SMILES

C1=CC=C(C=C1)COC(C2=CC=CC=C2OC(C3(CCC(CC3)(CNC(=N)N)[H])[H])=O)=O.Cl

1 reference

Benexate hydrochloride (English)

6 October 2016

isomeric SMILES

C1=CC=C(C=C1)COC(C2=CC=CC=C2OC(C3(CC[C@@](CC3)(CNC(=N)N)[H])[H])=O)=O.Cl

1 reference

Benexate hydrochloride (English)

InChI=1S/C23H27N3O4.ClH/c24-23(25)26-14-16-10-12-18(13-11-16)21(27)30-20-9-5-4-8-19(20)22(28)29-15-17-6-2-1-3-7-17;/h1-9,16,18H,10-15H2,(H4,24,25,26);1H/t16-,18?;

6 October 2016

Identifiers

InChI

1 reference

Benexate hydrochloride (English)

ZNYYFCHDQJQKOK-JFFAAOMISA-N

6 October 2016

InChIKey

2 references

Benexate hydrochloride (English)

6 October 2016

stated in

ChEBI release 2020-09-01

1 reference

Benexate hydrochloride (English)

6 October 2016

1 reference

Benzyl 2-({[4-(carbamimidamidomethyl)cyclohexyl]carbonyl}oxy)benzoate hydrochloride (1:1) (English)

6 October 2016

ChEBI ID

31258

mapping relation type

1 reference

Benexate hydrochloride (English)

DSSTOX compound identifier

6 October 2016

DSSTox substance ID

DTXSID80999968

0 references

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1 reference

Benexate hydrochloride (English)