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Details

Stereochemistry RACEMIC
Molecular Formula C38H42N2O6
Molecular Weight 622.7499
Optical Activity ( + / - )
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ISOTETRANDRINE, (±)-

SMILES

COC1=CC=C2C[C@@H]3N(C)CCC4=C3C(OC5=CC6=C(CCN(C)[C@@H]6CC7=CC=C(OC1=C2)C=C7)C=C5OC)=C(OC)C(OC)=C4

InChI

InChIKey=WVTKBKWTSCPRNU-IHLOFXLRSA-N
InChI=1S/C38H42N2O6/c1-39-15-13-25-20-32(42-4)34-22-28(25)29(39)17-23-7-10-27(11-8-23)45-33-19-24(9-12-31(33)41-3)18-30-36-26(14-16-40(30)2)21-35(43-5)37(44-6)38(36)46-34/h7-12,19-22,29-30H,13-18H2,1-6H3/t29-,30+/m1/s1

HIDE SMILES / InChI

Molecular Formula C38H42N2O6
Molecular Weight 622.7499
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 16:39:37 GMT 2025
Edited
by admin
on Tue Apr 01 16:39:37 GMT 2025
Record UNII
C7WJK43784
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ISOTETRANDRINE, (±)-
Common Name English
(±)-ISOTETRANDRINE
Preferred Name English
1-ISOTETRANDRINE, (±)-
Common Name English
BERBAMAN, 6,6',7,12-TETRAMETHOXY-2,2'-DIMETHYL-, (±)-
Systematic Name English
Code System Code Type Description
FDA UNII
C7WJK43784
Created by admin on Tue Apr 01 16:39:37 GMT 2025 , Edited by admin on Tue Apr 01 16:39:37 GMT 2025
PRIMARY
CAS
23495-90-1
Created by admin on Tue Apr 01 16:39:37 GMT 2025 , Edited by admin on Tue Apr 01 16:39:37 GMT 2025
PRIMARY
Related Record Type Details
ENANTIOMER -> RACEMATE
ENANTIOMER -> RACEMATE