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Details

Stereochemistry MIXED
Molecular Formula C28H32N2O2
Molecular Weight 428.5659
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 7
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BU-72

SMILES

[H][C@@]12N[C@H](C3=CC=CC=C3)C4(C)CC5(C=C[C@]14OC)[C@@]6([H])CC7=CC=C(O)C=C7[C@@]25CCN6C

InChI

InChIKey=RGJHUVJQGAAZLK-DIZBDODISA-N
InChI=1S/C28H32N2O2/c1-25-17-26-11-12-28(25,32-3)24(29-23(25)18-7-5-4-6-8-18)27(26)13-14-30(2)22(26)15-19-9-10-20(31)16-21(19)27/h4-12,16,22-24,29,31H,13-15,17H2,1-3H3/t22-,23-,24+,25?,26?,27+,28+/m1/s1

HIDE SMILES / InChI

Molecular Formula C28H32N2O2
Molecular Weight 428.5659
Charge 0
Count
Stereochemistry MIXED
Additional Stereochemistry No
Defined Stereocenters 5 / 7
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Thu Jul 06 23:28:48 UTC 2023
Edited
by admin
on Thu Jul 06 23:28:48 UTC 2023
Record UNII
KVN8RP2FQX
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
BU-72
Code English
6,11B-(IMINOETHANO)-3,5A-METHANO-1H-NAPHTH(2,1-G)INDOL-10-OL, 2,3,3A,6,7,11C-HEXAHYDRO-3A-METHOXY-3,14-DIMETHYL-2-PHENYL-, (2R,3S,3AR,5AR,6R,11BR,11CS)-
Systematic Name English
BU 72
Code English
Code System Code Type Description
EPA CompTox
DTXSID001336686
Created by admin on Thu Jul 06 23:28:48 UTC 2023 , Edited by admin on Thu Jul 06 23:28:48 UTC 2023
PRIMARY
WIKIPEDIA
BU72
Created by admin on Thu Jul 06 23:28:48 UTC 2023 , Edited by admin on Thu Jul 06 23:28:48 UTC 2023
PRIMARY
FDA UNII
KVN8RP2FQX
Created by admin on Thu Jul 06 23:28:48 UTC 2023 , Edited by admin on Thu Jul 06 23:28:48 UTC 2023
PRIMARY
CAS
173265-76-4
Created by admin on Thu Jul 06 23:28:48 UTC 2023 , Edited by admin on Thu Jul 06 23:28:48 UTC 2023
PRIMARY
PUBCHEM
164512964
Created by admin on Thu Jul 06 23:28:48 UTC 2023 , Edited by admin on Thu Jul 06 23:28:48 UTC 2023
PRIMARY
Related Record Type Details
TARGET -> AGONIST
SALT/SOLVATE -> PARENT