U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C36H38N2O6
Molecular Weight 594.6967
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of OBAMEGINE

SMILES

COC1=CC2=C3C=C1OC4=C5[C@@H](CC6=CC(OC7=CC=C(C[C@@H]3N(C)CC2)C=C7)=C(O)C=C6)N(C)CCC5=CC(OC)=C4O

InChI

InChIKey=XGEAUXVPBXUBKN-WUFINQPMSA-N
InChI=1S/C36H38N2O6/c1-37-13-11-23-18-31(41-3)32-20-26(23)27(37)15-21-5-8-25(9-6-21)43-30-17-22(7-10-29(30)39)16-28-34-24(12-14-38(28)2)19-33(42-4)35(40)36(34)44-32/h5-10,17-20,27-28,39-40H,11-16H2,1-4H3/t27-,28+/m0/s1

HIDE SMILES / InChI

Molecular Formula C36H38N2O6
Molecular Weight 594.6967
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Tue Apr 01 17:34:59 GMT 2025
Edited
by admin
on Tue Apr 01 17:34:59 GMT 2025
Record UNII
75K1EI2HDP
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
OBAMEGINE
Common Name English
NSC-123123
Preferred Name English
(+)-OBAMEGINE
Common Name English
STEPHOLINE
Common Name English
16H-1,24:6,9-DIETHENO-11,15-METHENO-2H-PYRIDO(2',3':17,18)(1,11)DIOXACYCLOEICOSINO(2,3,4-IJ)ISOQUINOLINE-12,22-DIOL, 3,4,4A,5,16A,17,18,19-OCTAHYDRO-21,26-DIMETHOXY-4,17-DIMETHYL-, (4AS,16AR)-
Common Name English
16H-1,24:6,9-DIETHENO-11,15-METHENO-2H-PYRIDO(2',3':17,18)(1,11)DIOXACYCLOEICOSINO(2,3,4-IJ)ISOQUINOLINE-12,22-DIOL, 3,4,4A,5,16A,17,18,19-OCTAHYDRO-21,26-DIMETHOXY-4,17-DIMETHYL-, (4AS-(4AR*,16AS*))-
Common Name English
OBAMEGINE, (+)-
Common Name English
OBAMEGIN
Common Name English
BERBAMAN-7,12-DIOL, 6,6'-DIMETHOXY-2,2'-DIMETHYL-
Common Name English
Code System Code Type Description
NSC
123123
Created by admin on Tue Apr 01 17:34:59 GMT 2025 , Edited by admin on Tue Apr 01 17:34:59 GMT 2025
PRIMARY
FDA UNII
75K1EI2HDP
Created by admin on Tue Apr 01 17:34:59 GMT 2025 , Edited by admin on Tue Apr 01 17:34:59 GMT 2025
PRIMARY
PUBCHEM
441064
Created by admin on Tue Apr 01 17:34:59 GMT 2025 , Edited by admin on Tue Apr 01 17:34:59 GMT 2025
PRIMARY
EPA CompTox
DTXSID301098623
Created by admin on Tue Apr 01 17:34:59 GMT 2025 , Edited by admin on Tue Apr 01 17:34:59 GMT 2025
PRIMARY
CAS
479-37-8
Created by admin on Tue Apr 01 17:34:59 GMT 2025 , Edited by admin on Tue Apr 01 17:34:59 GMT 2025
PRIMARY