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

Details

Stereochemistry ABSOLUTE
Molecular Formula C21H29FN2O3
Molecular Weight 376.465
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0
Stereo Comments Assumed S-isomer as in L-valine

SHOW SMILES / InChI
Structure of 5F-MDMB-PICA

SMILES

COC(=O)[C@@H](NC(=O)C1=CN(CCCCCF)C2=CC=CC=C12)C(C)(C)C

InChI

InChIKey=CHSUEEBESACQDV-GOSISDBHSA-N
InChI=1S/C21H29FN2O3/c1-21(2,3)18(20(26)27-4)23-19(25)16-14-24(13-9-5-8-12-22)17-11-7-6-10-15(16)17/h6-7,10-11,14,18H,5,8-9,12-13H2,1-4H3,(H,23,25)/t18-/m1/s1

HIDE SMILES / InChI

Molecular Formula C21H29FN2O3
Molecular Weight 376.465
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 Sat Dec 16 14:53:36 UTC 2023
Edited
by admin
on Sat Dec 16 14:53:36 UTC 2023
Record UNII
NG3U6O970A
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
5F-MDMB-PICA
Common Name English
METHYL 2-(1-(5-FLUOROPENTYL)-1H-INDOLE-3-CARBOXAMIDO)-3,3-DIMETHYLBUTANOATE
Systematic Name English
5F-MDMB-2201
Common Name English
5F-MDMB-PICA [NFLIS-DRUG]
Common Name English
5-FLUORO-MDMB-PICA
Common Name English
L-VALINE, N-((1-(5-FLUOROPENTYL)-1H-INDOL-3-YL)CARBONYL)-3-METHYL-, METHYL ESTER
Systematic Name English
MDMB-2201
Common Name English
DEA NO. 7041
Code English
Classification Tree Code System Code
DEA NO. 7041
Created by admin on Sat Dec 16 14:53:36 UTC 2023 , Edited by admin on Sat Dec 16 14:53:36 UTC 2023
Code System Code Type Description
WIKIPEDIA
5F-MDMB-PICA
Created by admin on Sat Dec 16 14:53:36 UTC 2023 , Edited by admin on Sat Dec 16 14:53:36 UTC 2023
PRIMARY
PUBCHEM
129597835
Created by admin on Sat Dec 16 14:53:36 UTC 2023 , Edited by admin on Sat Dec 16 14:53:36 UTC 2023
PRIMARY
CAS
1971007-88-1
Created by admin on Sat Dec 16 14:53:36 UTC 2023 , Edited by admin on Sat Dec 16 14:53:36 UTC 2023
PRIMARY
FDA UNII
NG3U6O970A
Created by admin on Sat Dec 16 14:53:36 UTC 2023 , Edited by admin on Sat Dec 16 14:53:36 UTC 2023
PRIMARY
SMS_ID
300000005161
Created by admin on Sat Dec 16 14:53:36 UTC 2023 , Edited by admin on Sat Dec 16 14:53:36 UTC 2023
PRIMARY
EPA CompTox
DTXSID201135086
Created by admin on Sat Dec 16 14:53:36 UTC 2023 , Edited by admin on Sat Dec 16 14:53:36 UTC 2023
PRIMARY
Related Record Type Details
TARGET -> AGONIST
Potent agonist of both the CB1 receptor and the CB2 receptor.
EC50
TARGET -> AGONIST
Related Record Type Details
ACTIVE MOIETY