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Details

Stereochemistry ABSOLUTE
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
99JX36W62B
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
BERBAMAN, 6,6',7,12-TETRAMETHOXY-2,2'-DIMETHYL-, (1.BETA.,1'.BETA.)-
Preferred Name English
ISOTETRANDRINE, (-)-
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, 3,4,4A,5,16A,17,18,19-OCTAHYDRO-12,21,22,26-TETRAMETHOXY-4,17-DIMETHYL-, (4AR,16AS)-
Systematic Name English
N,O-DIMETHYLPEINAMINE
Common Name English
PENDULINE, O-METHYL-
Common Name English
O-METHYLPENDULINE
Common Name English
(S,R)-ISOTETRANDRINE
Systematic Name English
Code System Code Type Description
FDA UNII
99JX36W62B
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
26137-48-4
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
PUBCHEM
5351212
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
DIASTEREOISOMER -> DIASTEREOISOMER
DIASTEREOISOMER -> DIASTEREOISOMER
RACEMATE -> ENANTIOMER
ENANTIOMER -> ENANTIOMER