(Q27285573)

Spirapril hydrochloride (English)

17 November 2016

chemical formula

C₂₂H₃₁ClN₂O₅S₂

1 reference

Spirapril hydrochloride (English)

17 November 2016

canonical SMILES

CCOC(=O)C(CCC1=CC=CC=C1)NC(C)C(=O)N2CC3(CC2C(=O)O)SCCS3.Cl

1 reference

Spirapril hydrochloride (English)

17 November 2016

isomeric SMILES

CCOC(=O)[C@H](CCC1=CC=CC=C1)N[C@@H](C)C(=O)N2CC3(C[C@H]2C(=O)O)SCCS3.Cl

1 reference

Spirapril hydrochloride (English)

InChI=1S/C22H30N2O5S2.ClH/c1-3-29-21(28)17(10-9-16-7-5-4-6-8-16)23-15(2)19(25)24-14-22(30-11-12-31-22)13-18(24)20(26)27;/h4-8,15,17-18,23H,3,9-14H2,1-2H3,(H,26,27);1H/t15-,17-,18-;/m0./s1

17 November 2016

Identifiers

InChI

1 reference

Spirapril hydrochloride (English)

17 November 2016

1 reference

Spirapril hydrochloride (English)

17 November 2016

1 reference

spirapril hydrochloride (English)

17 November 2016

1 reference

spirapril hydrochloride (English)

14 October 2016

2 references

Spirapril hydrochloride (English)

17 November 2016

1 reference

SPIRAPRIL HYDROCHLORIDE (English)

17 November 2016

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inferred from InChIKey

Mapping file of InChIStrings, InChIKeys and DTXSIDs for the EPA CompTox Dashboard

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DSSTOX compound identifier

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spirapril hydrochloride (English)

17 November 2016

NDF-RT ID

N0000022955

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stated in

spirapril hydrochloride (English)

17 November 2016

0 references

1 reference

spirapril hydrochloride (English)