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Details

Stereochemistry ABSOLUTE
Molecular Formula C38H42N2O6
Molecular Weight 622.7513
Optical Activity ( - )
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

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

SMILES

CN1CCc2cc(c3cc2[C@@]1([H])Cc4ccc(cc4)Oc5cc(ccc5OC)C[C@@]6([H])c7c(CCN6C)cc(c(c7O3)OC)OC)OC

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 622.7513
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 Jun 26 00:31:55 UTC 2021
Edited
by admin
on Sat Jun 26 00:31:55 UTC 2021
Record UNII
99JX36W62B
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ISOTETRANDRINE, (-)-
Common Name English
BERBAMAN, 6,6',7,12-TETRAMETHOXY-2,2'-DIMETHYL-, (1.BETA.,1'.BETA.)-
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 Sat Jun 26 00:31:55 UTC 2021 , Edited by admin on Sat Jun 26 00:31:55 UTC 2021
PRIMARY
CAS
26137-48-4
Created by admin on Sat Jun 26 00:31:55 UTC 2021 , Edited by admin on Sat Jun 26 00:31:55 UTC 2021
PRIMARY
PUBCHEM
5351212
Created by admin on Sat Jun 26 00:31:55 UTC 2021 , Edited by admin on Sat Jun 26 00:31:55 UTC 2021
PRIMARY
Related Record Type Details
DIASTEREOISOMER -> DIASTEREOISOMER
DIASTEREOISOMER -> DIASTEREOISOMER
RACEMATE -> ENANTIOMER
ENANTIOMER -> ENANTIOMER