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Details

Stereochemistry ABSOLUTE
Molecular Formula C22H30N2O3
Molecular Weight 370.4852
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of MDMB-CHMICA METABOLITE M-30

SMILES

CC(C)(C)[C@H](NC(=O)C1=CN(CC2CCCCC2)C3=CC=CC=C13)C(O)=O

InChI

InChIKey=YFDOZUYCWXTPTF-LJQANCHMSA-N
InChI=1S/C22H30N2O3/c1-22(2,3)19(21(26)27)23-20(25)17-14-24(13-15-9-5-4-6-10-15)18-12-8-7-11-16(17)18/h7-8,11-12,14-15,19H,4-6,9-10,13H2,1-3H3,(H,23,25)(H,26,27)/t19-/m1/s1

HIDE SMILES / InChI

Molecular Formula C22H30N2O3
Molecular Weight 370.4852
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 18:15:45 UTC 2023
Edited
by admin
on Sat Dec 16 18:15:45 UTC 2023
Record UNII
565TTU3EGT
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
MDMB-CHMICA METABOLITE M-30
Common Name English
(S)-2-(1-(cyclohexylmethyl)-1H-indole-3-carboxamido)-3,3-dimethylbutanoic acid
Common Name English
2-(1-(CYCLOHEXYLMETHYL)-1H-INDOLE-3-CARBOXAMIDO)-3,3-DIMETHYLBUTANOIC ACID, (S)-
Common Name English
Code System Code Type Description
FDA UNII
565TTU3EGT
Created by admin on Sat Dec 16 18:15:45 UTC 2023 , Edited by admin on Sat Dec 16 18:15:45 UTC 2023
PRIMARY
PUBCHEM
162432611
Created by admin on Sat Dec 16 18:15:45 UTC 2023 , Edited by admin on Sat Dec 16 18:15:45 UTC 2023
PRIMARY
CAS
2460730-12-3
Created by admin on Sat Dec 16 18:15:45 UTC 2023 , Edited by admin on Sat Dec 16 18:15:45 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE