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

Details

Stereochemistry ABSOLUTE
Molecular Formula C19H31NO6
Molecular Weight 369.4525
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ORG-25435

SMILES

CC[C@@H](N(CCOC)CCOC)C(=O)OC1=C(OC)C=C(C)C=C1OC

InChI

InChIKey=GKRFHHRXDUACIN-OAHLLOKOSA-N
InChI=1S/C19H31NO6/c1-7-15(20(8-10-22-3)9-11-23-4)19(21)26-18-16(24-5)12-14(2)13-17(18)25-6/h12-13,15H,7-11H2,1-6H3/t15-/m1/s1

HIDE SMILES / InChI

Molecular Formula C19H31NO6
Molecular Weight 369.4525
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 18:54:26 UTC 2023
Edited
by admin
on Fri Dec 15 18:54:26 UTC 2023
Record UNII
VCW1NHW3OV
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ORG-25435
Common Name English
ORG 25435
Code English
BUTANOIC ACID, 2-(BIS(2-METHOXYETHYL)AMINO)-, 2,6-DIMETHOXY-4-METHYLPHENYL ESTER, (2R)-
Systematic Name English
Code System Code Type Description
PUBCHEM
9885653
Created by admin on Fri Dec 15 18:54:26 UTC 2023 , Edited by admin on Fri Dec 15 18:54:26 UTC 2023
PRIMARY
CAS
256456-73-2
Created by admin on Fri Dec 15 18:54:26 UTC 2023 , Edited by admin on Fri Dec 15 18:54:26 UTC 2023
PRIMARY
EPA CompTox
DTXSID401029772
Created by admin on Fri Dec 15 18:54:26 UTC 2023 , Edited by admin on Fri Dec 15 18:54:26 UTC 2023
PRIMARY
DRUG BANK
DB12312
Created by admin on Fri Dec 15 18:54:26 UTC 2023 , Edited by admin on Fri Dec 15 18:54:26 UTC 2023
PRIMARY
FDA UNII
VCW1NHW3OV
Created by admin on Fri Dec 15 18:54:26 UTC 2023 , Edited by admin on Fri Dec 15 18:54:26 UTC 2023
PRIMARY
WIKIPEDIA
ORG-25435
Created by admin on Fri Dec 15 18:54:26 UTC 2023 , Edited by admin on Fri Dec 15 18:54:26 UTC 2023
PRIMARY
Related Record Type Details
ACTIVE MOIETY