U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C22H30N2O5S2.ClH
Molecular Weight 503.075
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of SPIRAPRIL HYDROCHLORIDE

SMILES

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

InChI

InChIKey=CLDOLNORSLLQDI-OOAIBONUSA-N
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

HIDE SMILES / InChI

Molecular Formula C22H30N2O5S2
Molecular Weight 466.614
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 16:18:46 UTC 2023
Edited
by admin
on Fri Dec 15 16:18:46 UTC 2023
Record UNII
OCC25LM897
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
SPIRAPRIL HYDROCHLORIDE
MART.   MI   ORANGE BOOK   USAN   VANDF   WHO-DD  
USAN  
Official Name English
SPIRAPRIL HCL
Common Name English
SPIRAPRIL HYDROCHLORIDE [MI]
Common Name English
SPIRAPRIL HYDROCHLORIDE [MART.]
Common Name English
SPIRAPRIL HYDROCHLORIDE [USAN]
Common Name English
SPIRAPRIL HYDROCHLORIDE [VANDF]
Common Name English
1,4-DITHIA-7-AZASPIRO(4.4)NONANE-8-CARBOXYLIC ACID, 7-((2S)-2-(((1S)-1-(ETHOXYCARBONYL)-3-PHENYLPROPYL)AMINO)-1-OXOPROPYL)-, HYDROCHLORIDE (1:1), (8S)-
Systematic Name English
SPIRAPRIL HYDROCHLORIDE [ORANGE BOOK]
Common Name English
Spirapril hydrochloride [WHO-DD]
Common Name English
SCH 33844
Code English
(8S)-7[(S)-N-[(S)-1-Carboxy-3-phenylpropyl]alanyl]-1,4-dithia-7-azaspiro[4.4]nonane-8-carboxylic acid, 1-ethyl ester, monohydrochloride
Common Name English
1,4-DITHIA-7-AZASPIRO(4.4)NONANE-8-CARBOXYLIC ACID, 7-(2-((1-(ETHOXYCARBONYL)-3-PHENYLPROPYL)AMINO)-1-OXOPROPYL)-, MONOHYDROCHLORIDE, (8S-(7(R*(R*)),8R*))-
Common Name English
RENORMAX
Brand Name English
SCH-33844
Code English
Classification Tree Code System Code
NCI_THESAURUS C247
Created by admin on Fri Dec 15 16:18:46 UTC 2023 , Edited by admin on Fri Dec 15 16:18:46 UTC 2023
Code System Code Type Description
CAS
94841-17-5
Created by admin on Fri Dec 15 16:18:46 UTC 2023 , Edited by admin on Fri Dec 15 16:18:46 UTC 2023
PRIMARY
EVMPD
SUB04530MIG
Created by admin on Fri Dec 15 16:18:46 UTC 2023 , Edited by admin on Fri Dec 15 16:18:46 UTC 2023
PRIMARY
USAN
Y-23
Created by admin on Fri Dec 15 16:18:46 UTC 2023 , Edited by admin on Fri Dec 15 16:18:46 UTC 2023
PRIMARY
SMS_ID
100000084976
Created by admin on Fri Dec 15 16:18:46 UTC 2023 , Edited by admin on Fri Dec 15 16:18:46 UTC 2023
PRIMARY
DRUG BANK
DBSALT001443
Created by admin on Fri Dec 15 16:18:46 UTC 2023 , Edited by admin on Fri Dec 15 16:18:46 UTC 2023
PRIMARY
PUBCHEM
6850814
Created by admin on Fri Dec 15 16:18:46 UTC 2023 , Edited by admin on Fri Dec 15 16:18:46 UTC 2023
PRIMARY
EPA CompTox
DTXSID6044272
Created by admin on Fri Dec 15 16:18:46 UTC 2023 , Edited by admin on Fri Dec 15 16:18:46 UTC 2023
PRIMARY
NCI_THESAURUS
C66561
Created by admin on Fri Dec 15 16:18:46 UTC 2023 , Edited by admin on Fri Dec 15 16:18:46 UTC 2023
PRIMARY
ChEMBL
CHEMBL431
Created by admin on Fri Dec 15 16:18:46 UTC 2023 , Edited by admin on Fri Dec 15 16:18:46 UTC 2023
PRIMARY
FDA UNII
OCC25LM897
Created by admin on Fri Dec 15 16:18:46 UTC 2023 , Edited by admin on Fri Dec 15 16:18:46 UTC 2023
PRIMARY
MERCK INDEX
m10150
Created by admin on Fri Dec 15 16:18:46 UTC 2023 , Edited by admin on Fri Dec 15 16:18:46 UTC 2023
PRIMARY Merck Index
Related Record Type Details
PARENT -> SALT/SOLVATE
SOLVATE->ANHYDROUS
Related Record Type Details
ACTIVE MOIETY