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

Details

Stereochemistry RACEMIC
Molecular Formula C31H28N2O3
Molecular Weight 476.5656
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-ANILINO-3-METHYL-6-DIETHYLAMINOFLUORAN

SMILES

CCN(CC)C1=CC2=C(C=C1)C3(OC(=O)C4=C3C=CC=C4)C5=C(O2)C=C(C)C(NC6=CC=CC=C6)=C5

InChI

InChIKey=WQFYAGVHZYFXDO-UHFFFAOYSA-N
InChI=1S/C31H28N2O3/c1-4-33(5-2)22-15-16-25-29(18-22)35-28-17-20(3)27(32-21-11-7-6-8-12-21)19-26(28)31(25)24-14-10-9-13-23(24)30(34)36-31/h6-19,32H,4-5H2,1-3H3

HIDE SMILES / InChI

Molecular Formula C31H28N2O3
Molecular Weight 476.5656
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 08:29:42 GMT 2023
Edited
by admin
on Sat Dec 16 08:29:42 GMT 2023
Record UNII
8C4BY0JL9A
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-ANILINO-3-METHYL-6-DIETHYLAMINOFLUORAN
Common Name English
TRICETYLAMINE
Systematic Name English
ARMEEN-316
Brand Name English
THDA
Common Name English
SPIRO(ISOBENZOFURAN-1(3H),9'-(9H)XANTHEN)-3-ONE, 6'-(DIETHYLAMINO)-3'-METHYL-2'-(PHENYLAMINO)-
Systematic Name English
Code System Code Type Description
ECHA (EC/EINECS)
249-676-0
Created by admin on Sat Dec 16 08:29:42 GMT 2023 , Edited by admin on Sat Dec 16 08:29:42 GMT 2023
PRIMARY
EPA CompTox
DTXSID0029347
Created by admin on Sat Dec 16 08:29:42 GMT 2023 , Edited by admin on Sat Dec 16 08:29:42 GMT 2023
PRIMARY
FDA UNII
8C4BY0JL9A
Created by admin on Sat Dec 16 08:29:42 GMT 2023 , Edited by admin on Sat Dec 16 08:29:42 GMT 2023
PRIMARY
CAS
29512-49-0
Created by admin on Sat Dec 16 08:29:42 GMT 2023 , Edited by admin on Sat Dec 16 08:29:42 GMT 2023
PRIMARY
PUBCHEM
122402
Created by admin on Sat Dec 16 08:29:42 GMT 2023 , Edited by admin on Sat Dec 16 08:29:42 GMT 2023
PRIMARY