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Details

Stereochemistry RACEMIC
Molecular Formula C29H38N2O4.2BrH
Molecular Weight 640.447
Optical Activity ( + / - )
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DEHYDROISOEMETINE DIHYDROBROMIDE, (±)-

SMILES

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

InChI

InChIKey=IRZYJLQDCUNDMY-LXTBHBSOSA-N
InChI=1S/C29H38N2O4.2BrH/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;2*1H/t24-,25-;;/m0../s1

HIDE SMILES / InChI

Molecular Formula BrH
Molecular Weight 80.912
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C29H38N2O4
Molecular Weight 478.623
Charge 0
Count
Stereochemistry RACEMIC
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 05:50:21 GMT 2023
Edited
by admin
on Sat Dec 16 05:50:21 GMT 2023
Record UNII
CO7LHH2QL3
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
DEHYDROISOEMETINE DIHYDROBROMIDE, (±)-
Common Name English
(±)-2,3-DIDEHYDROISOEMETINE DIHYDROBROMIDE
Common Name English
Code System Code Type Description
FDA UNII
CO7LHH2QL3
Created by admin on Sat Dec 16 05:50:21 GMT 2023 , Edited by admin on Sat Dec 16 05:50:21 GMT 2023
PRIMARY
PUBCHEM
71587105
Created by admin on Sat Dec 16 05:50:21 GMT 2023 , Edited by admin on Sat Dec 16 05:50:21 GMT 2023
PRIMARY
Related Record Type Details
ACTIVE MOIETY