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Details

Stereochemistry ABSOLUTE
Molecular Formula C23H28N2O5S2.ClH
Molecular Weight 513.07
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of TEMOCAPRIL HYDROCHLORIDE

SMILES

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

InChI

InChIKey=XDDQNOKKZKHBIX-ASBZXGSUSA-N
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

HIDE SMILES / InChI

Molecular Formula C23H28N2O5S2
Molecular Weight 476.609
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 3 / 3
E/Z Centers 0
Optical Activity UNSPECIFIED

Molecular Formula ClH
Molecular Weight 36.461
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 15:38:27 UTC 2023
Edited
by admin
on Fri Dec 15 15:38:27 UTC 2023
Record UNII
8G820I95VP
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
TEMOCAPRIL HYDROCHLORIDE
JAN   MART.   MI   USAN   WHO-DD  
USAN  
Official Name English
ACECOL
Brand Name English
TEMOCAPRIL HYDROCHLORIDE [JAN]
Common Name English
CS-622
Code English
1,4-THIAZEPINE-4(5H)-ACETIC ACID, 6-(((1S)-1-(ETHOXYCARBONYL)-3-PHENYLPROPYL)AMINO)TETRAHYDRO-5-OXO-2-(2-THIENYL)-, HYDROCHLORIDE (1:1), (2S,6R)-
Common Name English
Temocapril hydrochloride [WHO-DD]
Common Name English
TEMOCAPRIL HYDROCHLORIDE [MART.]
Common Name English
TEMOCAPRIL HYDROCHLORIDE [MI]
Common Name English
TEMOCAPRIL HYDROCHLORIDE [USAN]
Common Name English
TEMOCAPRIL HCL
Common Name English
Classification Tree Code System Code
NCI_THESAURUS C247
Created by admin on Fri Dec 15 15:38:27 UTC 2023 , Edited by admin on Fri Dec 15 15:38:27 UTC 2023
Code System Code Type Description
CAS
110221-44-8
Created by admin on Fri Dec 15 15:38:27 UTC 2023 , Edited by admin on Fri Dec 15 15:38:27 UTC 2023
PRIMARY
PUBCHEM
443873
Created by admin on Fri Dec 15 15:38:27 UTC 2023 , Edited by admin on Fri Dec 15 15:38:27 UTC 2023
PRIMARY
ChEMBL
CHEMBL2110627
Created by admin on Fri Dec 15 15:38:27 UTC 2023 , Edited by admin on Fri Dec 15 15:38:27 UTC 2023
PRIMARY
EPA CompTox
DTXSID7046914
Created by admin on Fri Dec 15 15:38:27 UTC 2023 , Edited by admin on Fri Dec 15 15:38:27 UTC 2023
PRIMARY
EVMPD
SUB04716MIG
Created by admin on Fri Dec 15 15:38:27 UTC 2023 , Edited by admin on Fri Dec 15 15:38:27 UTC 2023
PRIMARY
USAN
FF-33
Created by admin on Fri Dec 15 15:38:27 UTC 2023 , Edited by admin on Fri Dec 15 15:38:27 UTC 2023
PRIMARY
NCI_THESAURUS
C99556
Created by admin on Fri Dec 15 15:38:27 UTC 2023 , Edited by admin on Fri Dec 15 15:38:27 UTC 2023
PRIMARY
MESH
C055603
Created by admin on Fri Dec 15 15:38:27 UTC 2023 , Edited by admin on Fri Dec 15 15:38:27 UTC 2023
PRIMARY
DRUG BANK
DBSALT000171
Created by admin on Fri Dec 15 15:38:27 UTC 2023 , Edited by admin on Fri Dec 15 15:38:27 UTC 2023
PRIMARY
MERCK INDEX
m10549
Created by admin on Fri Dec 15 15:38:27 UTC 2023 , Edited by admin on Fri Dec 15 15:38:27 UTC 2023
PRIMARY Merck Index
FDA UNII
8G820I95VP
Created by admin on Fri Dec 15 15:38:27 UTC 2023 , Edited by admin on Fri Dec 15 15:38:27 UTC 2023
PRIMARY
SMS_ID
100000084791
Created by admin on Fri Dec 15 15:38:27 UTC 2023 , Edited by admin on Fri Dec 15 15:38:27 UTC 2023
PRIMARY
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PARENT -> SALT/SOLVATE
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ACTIVE MOIETY