(Q27270390)

temocapril hydrochloride (English)

14 October 2016

chemical formula

C₂₃H₂₉ClN₂O₅S₂

1 reference

temocapril hydrochloride (English)

14 October 2016

canonical SMILES

CCOC(=O)C(CCC1=CC=CC=C1)NC2CSC(CN(C2=O)CC(=O)O)C3=CC=CS3.Cl

1 reference

temocapril hydrochloride (English)

14 October 2016

isomeric SMILES

CCOC(=O)[C@H](CCC1=CC=CC=C1)N[C@H]2CS[C@@H](CN(C2=O)CC(=O)O)C3=CC=CS3.Cl

1 reference

temocapril hydrochloride (English)

14 October 2016

subject has role

antihypertensive drug

1 reference

Medical Subject Headings

15 March 2018

1 reference

Medical Subject Headings

MeSH descriptor ID

C055603

InChI=1S/C23H28N2O5S2.ClH/c1-2-30-23(29)17(11-10-16-7-4-3-5-8-16)24-18-15-32-20(19-9-6-12-31-19)13-25(22(18)28)14-21(26)27;/h3-9,12,17-18,20,24H,2,10-11,13-15H2,1H3,(H,26,27);1H/t17-,18-,20-;/m0./s1

15 March 2018

Identifiers

InChI

1 reference

temocapril hydrochloride (English)

14 October 2016

2 references

temocapril hydrochloride (English)

14 October 2016

ChEBI release 2020-09-01

CAS Registry Number

110221-44-8

2 references

Global Substance Registration System

UNII

8G820I95VP

temocapril hydrochloride (English)

14 October 2016

https://commonchemistry.cas.org/detail?cas_rn=110221-44-8

9 April 2021

1 reference

[(2S,6R)-6-{[(2S)-1-Ethoxy-1-oxo-4-phenyl-2-butanyl]amino}-5-oxo-2-(2-thienyl)-1,4-thiazepan-4-yl]acetic acid hydrochloride (English)

14 October 2016

1 reference

temocapril hydrochloride (English)

14 October 2016

ChEBI ID

32190

mapping relation type

exact match

2 references

ChEBI release 2019-10-02

International Chemical Identifier

InChI

InChI=1S/C23H28N2O5S2.ClH/c1-2-30-23(29)17(11-10-16-7-4-3-5-8-16)24-18-15-32-20(19-9-6-12-31-19)13-25(22(18)28)14-21(26)27;/h3-9,12,17-18,20,24H,2,10-11,13-15H2,1H3,(H,26,27);1H/t17-,18-,20-;/m0./s1

1 reference

TEMOCAPRIL HYDROCHLORIDE (English)

14 October 2016

2 references

inferred from InChIKey

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

1 reference

2 references

DSSTOX compound identifier

0 references

1 reference

Medical Subject Headings

14 March 2018

2 references

Global Substance Registration System

UNII

8G820I95VP

temocapril hydrochloride (English)

14 October 2016