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Details

Stereochemistry ABSOLUTE
Molecular Formula C31H38N2O6
Molecular Weight 534.6432
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DAGLUTRIL

SMILES

CCOC(=O)[C@H](CCC1=CC=CC=C1)CC2(CCCC2)C(=O)N[C@H]3CCC4=CC=CC=C4N(CC(O)=O)C3=O

InChI

InChIKey=XMQODGUTLZXUGZ-RPBOFIJWSA-N
InChI=1S/C31H38N2O6/c1-2-39-29(37)24(15-14-22-10-4-3-5-11-22)20-31(18-8-9-19-31)30(38)32-25-17-16-23-12-6-7-13-26(23)33(28(25)36)21-27(34)35/h3-7,10-13,24-25H,2,8-9,14-21H2,1H3,(H,32,38)(H,34,35)/t24-,25+/m1/s1

HIDE SMILES / InChI

Molecular Formula C31H38N2O6
Molecular Weight 534.6432
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 16:34:19 UTC 2023
Edited
by admin
on Fri Dec 15 16:34:19 UTC 2023
Record UNII
KKV299446X
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
DAGLUTRIL
INN  
INN  
Official Name English
SLV306
Code English
SLV-306
Code English
((3S)-3-(1-((2R)-2-ETHOXYCARBONYL-4-PHENYLBUTYL)CYCLOPENTANECARBOXAMIDO)-2-OXO-2,3,4,5-TETRAHYDRO-1H-1-BENZAZEPIN-1-YL)ACETIC ACID
Systematic Name English
daglutril [INN]
Common Name English
Classification Tree Code System Code
NCI_THESAURUS C783
Created by admin on Fri Dec 15 16:34:19 UTC 2023 , Edited by admin on Fri Dec 15 16:34:19 UTC 2023
Code System Code Type Description
CAS
182821-27-8
Created by admin on Fri Dec 15 16:34:19 UTC 2023 , Edited by admin on Fri Dec 15 16:34:19 UTC 2023
PRIMARY
PUBCHEM
3038505
Created by admin on Fri Dec 15 16:34:19 UTC 2023 , Edited by admin on Fri Dec 15 16:34:19 UTC 2023
PRIMARY
DRUG BANK
DB05796
Created by admin on Fri Dec 15 16:34:19 UTC 2023 , Edited by admin on Fri Dec 15 16:34:19 UTC 2023
PRIMARY
ChEMBL
CHEMBL2107738
Created by admin on Fri Dec 15 16:34:19 UTC 2023 , Edited by admin on Fri Dec 15 16:34:19 UTC 2023
PRIMARY
INN
8351
Created by admin on Fri Dec 15 16:34:19 UTC 2023 , Edited by admin on Fri Dec 15 16:34:19 UTC 2023
PRIMARY
NCI_THESAURUS
C73039
Created by admin on Fri Dec 15 16:34:19 UTC 2023 , Edited by admin on Fri Dec 15 16:34:19 UTC 2023
PRIMARY
SMS_ID
100000175036
Created by admin on Fri Dec 15 16:34:19 UTC 2023 , Edited by admin on Fri Dec 15 16:34:19 UTC 2023
PRIMARY
FDA UNII
KKV299446X
Created by admin on Fri Dec 15 16:34:19 UTC 2023 , Edited by admin on Fri Dec 15 16:34:19 UTC 2023
PRIMARY
EPA CompTox
DTXSID60171341
Created by admin on Fri Dec 15 16:34:19 UTC 2023 , Edited by admin on Fri Dec 15 16:34:19 UTC 2023
PRIMARY
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TARGET -> INHIBITOR
TARGET -> INHIBITOR
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ACTIVE MOIETY