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Details

Stereochemistry ABSOLUTE
Molecular Formula C18H26N4O2
Molecular Weight 330.4246
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ADB-BUTINACA

SMILES

CCCCN1N=C(C(=O)N[C@H](C(N)=O)C(C)(C)C)C2=C1C=CC=C2

InChI

InChIKey=GPWADXHYJAZPAX-OAHLLOKOSA-N
InChI=1S/C18H26N4O2/c1-5-6-11-22-13-10-8-7-9-12(13)14(21-22)17(24)20-15(16(19)23)18(2,3)4/h7-10,15H,5-6,11H2,1-4H3,(H2,19,23)(H,20,24)/t15-/m1/s1

HIDE SMILES / InChI

Molecular Formula C18H26N4O2
Molecular Weight 330.4246
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 18:23:33 UTC 2023
Edited
by admin
on Sat Dec 16 18:23:33 UTC 2023
Record UNII
ZJ6LS4NVM9
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ADB-BUTINACA
Common Name English
(S)-N-(1-AMINO-3,3-DIMETHYL-1-OXOBUTAN-2-YL)-1-BUTYL-1H-INDAZOLE-3-CARBOXAMIDE
Systematic Name English
N-(1-AMINO-3,3-DIMETHYL-1-OXOBUTAN-2-YL)-1-BUTYL-1H-INDAZOLE-3-CARBOXAMIDE
Systematic Name English
MMBA(N)-073
Code English
Code System Code Type Description
FDA UNII
ZJ6LS4NVM9
Created by admin on Sat Dec 16 18:23:33 UTC 2023 , Edited by admin on Sat Dec 16 18:23:33 UTC 2023
PRIMARY
SMS_ID
300000039953
Created by admin on Sat Dec 16 18:23:33 UTC 2023 , Edited by admin on Sat Dec 16 18:23:33 UTC 2023
PRIMARY
PUBCHEM
155907792
Created by admin on Sat Dec 16 18:23:33 UTC 2023 , Edited by admin on Sat Dec 16 18:23:33 UTC 2023
PRIMARY