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

Details

Stereochemistry ABSOLUTE
Molecular Formula C26H42N2O6
Molecular Weight 478.6215
Optical Activity UNSPECIFIED
Defined Stereocenters 6 / 6
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ACLIMOSTAT

SMILES

[H][C@@]1([C@H](OC)[C@@H](CC[C@]12CO2)OC(=O)N3CC(CCN4CCOCC4)C3)[C@@]5(C)O[C@@H]5CC=C(C)C

InChI

InChIKey=QJWJPMLDQYEPPW-AUKZVGPFSA-N
InChI=1S/C26H42N2O6/c1-18(2)5-6-21-25(3,34-21)23-22(30-4)20(7-9-26(23)17-32-26)33-24(29)28-15-19(16-28)8-10-27-11-13-31-14-12-27/h5,19-23H,6-17H2,1-4H3/t20-,21-,22-,23-,25+,26+/m1/s1

HIDE SMILES / InChI

Molecular Formula C26H42N2O6
Molecular Weight 478.6215
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 5 / 6
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 14:52:52 GMT 2023
Edited
by admin
on Sat Dec 16 14:52:52 GMT 2023
Record UNII
X150A3JK8R
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ACLIMOSTAT
INN  
Official Name English
(3R,4S,5S,6R)5METHOXY4((2R,3R)2METHYL3(3METHYLBUT2EN1YL)OXIRAN2YL)1OXASPIRO(2.5)OCTAN6YL 3(2(MORPHOLIN4YL)ETHYL)AZETIDINE1CARBOXYLATE
Systematic Name English
(3R,4S,5S,6R)-5-METHOXY-4-((2R,3R)-2-METHYL-3-(3-METHYLBUT-2-EN-1-YL)OXIRAN-2-YL)-1-OXASPIRO(2.5)OCTAN-6-YL 3-(2-(MORPHOLIN-4-YL)ETHYL)AZETIDINE-1-CARBOXYLATE
Systematic Name English
Aclimostat [WHO-DD]
Common Name English
aclimostat [INN]
Common Name English
ZGN-1061
Code English
1-AZETIDINECARBOXYLIC ACID, 3-(2-(4-MORPHOLINYL)ETHYL)-, (3R,4S,5S,6R)-5-METHOXY-4-((2R,3R)-2-METHYL-3-(3-METHYL-2-BUTEN-1-YL)-2-OXIRANYL)-1-OXASPIRO(2.5)OCT-6-YL ESTER
Systematic Name English
Code System Code Type Description
PUBCHEM
126573394
Created by admin on Sat Dec 16 14:52:53 GMT 2023 , Edited by admin on Sat Dec 16 14:52:53 GMT 2023
PRIMARY
NCI_THESAURUS
C169760
Created by admin on Sat Dec 16 14:52:53 GMT 2023 , Edited by admin on Sat Dec 16 14:52:53 GMT 2023
PRIMARY
SMS_ID
300000005940
Created by admin on Sat Dec 16 14:52:53 GMT 2023 , Edited by admin on Sat Dec 16 14:52:53 GMT 2023
PRIMARY
CAS
2082752-83-6
Created by admin on Sat Dec 16 14:52:53 GMT 2023 , Edited by admin on Sat Dec 16 14:52:53 GMT 2023
PRIMARY
FDA UNII
X150A3JK8R
Created by admin on Sat Dec 16 14:52:53 GMT 2023 , Edited by admin on Sat Dec 16 14:52:53 GMT 2023
PRIMARY
INN
10987
Created by admin on Sat Dec 16 14:52:53 GMT 2023 , Edited by admin on Sat Dec 16 14:52:53 GMT 2023
PRIMARY
Related Record Type Details
TARGET -> INHIBITOR
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ACTIVE MOIETY