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Details

Stereochemistry ABSOLUTE
Molecular Formula C28H32N2O2.2ClH
Molecular Weight 501.488
Optical Activity UNSPECIFIED
Defined Stereocenters 7 / 7
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BU-72 DIHYDROCHLORIDE

SMILES

Cl.Cl.CO[C@]12C=C[C@]34C[C@@]1(C)[C@H](N[C@H]2[C@@]35CCN(C)[C@@H]4CC6=CC=C(O)C=C56)C7=CC=CC=C7

InChI

InChIKey=ZXMATOLJMGPKMS-WVFXMMILSA-N
InChI=1S/C28H32N2O2.2ClH/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;2*1H/t22-,23-,24+,25+,26-,27+,28+;;/m1../s1

HIDE SMILES / InChI

Molecular Formula ClH
Molecular Weight 36.461
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

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

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 10:25:39 GMT 2025
Edited
by admin
on Wed Apr 02 10:25:39 GMT 2025
Record UNII
6E7H4V47ZH
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
BU-72 DIHYDROCHLORIDE
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-, HYDROCHLORIDE (1:2), (2R,3S,3AR,5AR,6R,11BR,11CS)-
Preferred Name English
Code System Code Type Description
PUBCHEM
163203507
Created by admin on Wed Apr 02 10:25:39 GMT 2025 , Edited by admin on Wed Apr 02 10:25:39 GMT 2025
PRIMARY
CAS
498547-21-0
Created by admin on Wed Apr 02 10:25:39 GMT 2025 , Edited by admin on Wed Apr 02 10:25:39 GMT 2025
PRIMARY
FDA UNII
6E7H4V47ZH
Created by admin on Wed Apr 02 10:25:39 GMT 2025 , Edited by admin on Wed Apr 02 10:25:39 GMT 2025
PRIMARY
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