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Details

Stereochemistry ABSOLUTE
Molecular Formula C18H25N3O4
Molecular Weight 347.4088
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4F-MDMB BINACA B-2 METABOLITE

SMILES

CC(C)(C)[C@H](NC(=O)C1=NN(CCCCO)C2=C1C=CC=C2)C(O)=O

InChI

InChIKey=JVKBPRFSHAKAQN-OAHLLOKOSA-N
InChI=1S/C18H25N3O4/c1-18(2,3)15(17(24)25)19-16(23)14-12-8-4-5-9-13(12)21(20-14)10-6-7-11-22/h4-5,8-9,15,22H,6-7,10-11H2,1-3H3,(H,19,23)(H,24,25)/t15-/m1/s1

HIDE SMILES / InChI

Molecular Formula C18H25N3O4
Molecular Weight 347.4088
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 18:22:46 GMT 2023
Edited
by admin
on Sat Dec 16 18:22:46 GMT 2023
Record UNII
P6GGQ32CFD
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
4F-MDMB BINACA B-2 METABOLITE
Common Name English
(S)-2-(1-(4-hydroxybutyl)-1H-indazole-3-carboxamido)-3,3-dimethylbutanoic acid
Systematic Name English
Code System Code Type Description
PUBCHEM
166451393
Created by admin on Sat Dec 16 18:22:46 GMT 2023 , Edited by admin on Sat Dec 16 18:22:46 GMT 2023
PRIMARY
FDA UNII
P6GGQ32CFD
Created by admin on Sat Dec 16 18:22:46 GMT 2023 , Edited by admin on Sat Dec 16 18:22:46 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE