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

Details

Stereochemistry ABSOLUTE
Molecular Formula C36H36N2O5
Molecular Weight 576.6814
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ISOTRILOBINE

SMILES

[H][C@@]12CC3=CC=C(OC)C(OC4=CC=C(C[C@]5([H])N(C)CCC6=CC(OC)=C7OC8=CC(CCN1C)=C2C=C8OC7=C56)C=C4)=C3

InChI

InChIKey=SVMNNRZZJAFEJM-NSOVKSMOSA-N
InChI=1S/C36H36N2O5/c1-37-13-11-23-18-31-32-20-26(23)27(37)16-22-7-10-29(39-3)30(17-22)41-25-8-5-21(6-9-25)15-28-34-24(12-14-38(28)2)19-33(40-4)35(42-31)36(34)43-32/h5-10,17-20,27-28H,11-16H2,1-4H3/t27-,28-/m0/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
ISOTRILOBINE
MI  
Common Name English
2H-22,26-EPOXY-1,24:12,15-DIETHENO-6,10-METHENO-16H-PYRIDO(2',3':17,18)(1,10)DIOXACYCLOEICOSINO(2,3,4-IJ)ISOQUINOLINE, 3,4,4A,5,16A,17,18,19-OCTAHYDRO-9,21-DIMETHOXY-4,17-DIMETHYL-, (4AS,16AS)-
Systematic Name English
N,O-DIMETHYLCOCSOLINE
Common Name English
(+)-ISOTRILOBINE
Common Name English
ISOTRILOBIN
Common Name English
HOMOTRILOBIN
Common Name English
ISOTRILOBINE [MI]
Common Name English
HOMOTRILOBINE
Common Name English
N-METHYLTRILOBINE
Common Name English
Code System Code Type Description
EPA CompTox
DTXSID90949070
Created by admin on Sat Dec 16 18:44:08 GMT 2023 , Edited by admin on Sat Dec 16 18:44:08 GMT 2023
PRIMARY
FDA UNII
WIB21F188O
Created by admin on Sat Dec 16 18:44:08 GMT 2023 , Edited by admin on Sat Dec 16 18:44:08 GMT 2023
PRIMARY
CAS
26195-62-0
Created by admin on Sat Dec 16 18:44:08 GMT 2023 , Edited by admin on Sat Dec 16 18:44:08 GMT 2023
PRIMARY
PUBCHEM
12310578
Created by admin on Sat Dec 16 18:44:08 GMT 2023 , Edited by admin on Sat Dec 16 18:44:08 GMT 2023
PRIMARY