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

Details

Stereochemistry ACHIRAL
Molecular Formula C20H25NO5
Molecular Weight 359.4162
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of LAVENDUSTIN C6

SMILES

CCCCCCN(CC1=C(O)C=CC(O)=C1)C2=CC(C(O)=O)=C(O)C=C2

InChI

InChIKey=MEEQDJDRCVEZCC-UHFFFAOYSA-N
InChI=1S/C20H25NO5/c1-2-3-4-5-10-21(13-14-11-16(22)7-9-18(14)23)15-6-8-19(24)17(12-15)20(25)26/h6-9,11-12,22-24H,2-5,10,13H2,1H3,(H,25,26)

HIDE SMILES / InChI

Molecular Formula C20H25NO5
Molecular Weight 359.4162
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 Sat Dec 16 08:36:10 GMT 2023
Edited
by admin
on Sat Dec 16 08:36:10 GMT 2023
Record UNII
IRH67TZ6EF
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
LAVENDUSTIN C6
Common Name English
LAVENDUSTIN C 6
Common Name English
BENZOIC ACID, 5-(((2,5-DIHYDROXYPHENYL)METHYL)HEXYLAMINO)-2-HYDROXY-
Systematic Name English
LAVENDUSTIN C-6
Common Name English
Code System Code Type Description
PUBCHEM
126839
Created by admin on Sat Dec 16 08:36:10 GMT 2023 , Edited by admin on Sat Dec 16 08:36:10 GMT 2023
PRIMARY
EPA CompTox
DTXSID90932381
Created by admin on Sat Dec 16 08:36:10 GMT 2023 , Edited by admin on Sat Dec 16 08:36:10 GMT 2023
PRIMARY
CAS
144676-04-0
Created by admin on Sat Dec 16 08:36:10 GMT 2023 , Edited by admin on Sat Dec 16 08:36:10 GMT 2023
PRIMARY
FDA UNII
IRH67TZ6EF
Created by admin on Sat Dec 16 08:36:10 GMT 2023 , Edited by admin on Sat Dec 16 08:36:10 GMT 2023
PRIMARY
Related Record Type Details
ACTIVE MOIETY