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

Details

Stereochemistry ABSOLUTE
Molecular Formula C29H38N2O4
Molecular Weight 478.623
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DEHYDROISOEMETINE

SMILES

[H][C@@]12CC(C[C@@H]3NCCC4=CC(OC)=C(OC)C=C34)=C(CC)CN1CCC5=CC(OC)=C(OC)C=C25

InChI

InChIKey=XXLZPUYGHQWHRN-DQEYMECFSA-N
InChI=1S/C29H38N2O4/c1-6-18-17-31-10-8-20-14-27(33-3)29(35-5)16-23(20)25(31)12-21(18)11-24-22-15-28(34-4)26(32-2)13-19(22)7-9-30-24/h13-16,24-25,30H,6-12,17H2,1-5H3/t24-,25-/m0/s1

HIDE SMILES / InChI

Molecular Formula C29H38N2O4
Molecular Weight 478.623
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 Sat Dec 16 07:14:19 UTC 2023
Edited
by admin
on Sat Dec 16 07:14:19 UTC 2023
Record UNII
1E59A697OD
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
DEHYDROISOEMETINE
Common Name English
ISOEMETINE, 2-DEHYDRO-
Common Name English
2-DEHYDROISOEMETINE
Common Name English
EMETAN, 2,3-DIDEHYDRO-6',7',10,11-TETRAMETHOXY-, (1'.BETA.)-
Common Name English
2,3-DIDEHYDROISOEMETINE
Common Name English
Code System Code Type Description
FDA UNII
1E59A697OD
Created by admin on Sat Dec 16 07:14:19 UTC 2023 , Edited by admin on Sat Dec 16 07:14:19 UTC 2023
PRIMARY
CAS
2649-50-5
Created by admin on Sat Dec 16 07:14:19 UTC 2023 , Edited by admin on Sat Dec 16 07:14:19 UTC 2023
PRIMARY
PUBCHEM
5748582
Created by admin on Sat Dec 16 07:14:19 UTC 2023 , Edited by admin on Sat Dec 16 07:14:19 UTC 2023
PRIMARY
Related Record Type Details
ACTIVE MOIETY