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Details

Stereochemistry ACHIRAL
Molecular Formula C21H29NO
Molecular Weight 311.4611
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3,3,4-TRIMETHYL-1-(1-PENTYL-1H-INDOL-3-YL)PENT-4-EN-1-ONE

SMILES

CCCCCN1C=C(C(=O)CC(C)(C)C(C)=C)C2=C1C=CC=C2

InChI

InChIKey=NBJHWTCAQOYUND-UHFFFAOYSA-N
InChI=1S/C21H29NO/c1-6-7-10-13-22-15-18(17-11-8-9-12-19(17)22)20(23)14-21(4,5)16(2)3/h8-9,11-12,15H,2,6-7,10,13-14H2,1,3-5H3

HIDE SMILES / InChI

Approval Year

Name Type Language
3,3,4-TRIMETHYL-1-(1-PENTYL-1H-INDOL-3-YL)PENT-4-EN-1-ONE
Systematic Name English
UR-144 DEGRADANT
Common Name English
4-PENTEN-1-ONE, 3,3,4-TRIMETHYL-1-(1-PENTYL-1H-INDOL-3-YL)-
Systematic Name English
3,3,4-TRIMETHYL-1-(1-PENTYL-1H-INDOL-3-YL)-4-PENTEN-1-ONE
Systematic Name English
KM-X1 DEGRADANT
Common Name English
UR-144 3,3,4-TRIMETHYLPENTENOYL ISOMER
Common Name English
Code System Code Type Description
FDA UNII
L26S4AX8CG
Created by admin on Sat Dec 16 18:41:15 GMT 2023 , Edited by admin on Sat Dec 16 18:41:15 GMT 2023
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EPA CompTox
DTXSID101043141
Created by admin on Sat Dec 16 18:41:15 GMT 2023 , Edited by admin on Sat Dec 16 18:41:15 GMT 2023
PRIMARY
CAS
1609273-88-2
Created by admin on Sat Dec 16 18:41:15 GMT 2023 , Edited by admin on Sat Dec 16 18:41:15 GMT 2023
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PUBCHEM
124518655
Created by admin on Sat Dec 16 18:41:15 GMT 2023 , Edited by admin on Sat Dec 16 18:41:15 GMT 2023
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