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Details

Stereochemistry ABSOLUTE
Molecular Formula C37H40N2O6.ClH.4H2O
Molecular Weight 717.245
Optical Activity ( + )
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BERBAMINE MONOHYDROCHLORIDE TETRAHYDRATE

SMILES

O.O.O.O.Cl.[H][C@@]12CC3=CC=C(OC4=CC(C[C@@]5([H])N(C)CCC6=C5C(OC7=C(OC)C=C(CCN1C)C2=C7)=C(OC)C(OC)=C6)=CC=C4O)C=C3

InChI

InChIKey=OYHSSOAVCUOTHN-SLDKZXGQSA-N
InChI=1S/C37H40N2O6.ClH.4H2O/c1-38-14-12-24-19-32(41-3)33-21-27(24)28(38)16-22-6-9-26(10-7-22)44-31-18-23(8-11-30(31)40)17-29-35-25(13-15-39(29)2)20-34(42-4)36(43-5)37(35)45-33;;;;;/h6-11,18-21,28-29,40H,12-17H2,1-5H3;1H;4*1H2/t28-,29+;;;;;/m0...../s1

HIDE SMILES / InChI

Approval Year

Name Type Language
BERBAMINE MONOHYDROCHLORIDE TETRAHYDRATE
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)ISOQUINOLIN-12-OL, 3,4,4A,5,16A,17,18,19-OCTAHYDRO-21,22,26-TRIMETHOXY-4,17-DIMETHYL-, HYDROCHLORIDE, HYDRATE (1:1:4), (4AS,16AR)-
Common Name English
BERBAMINE, MONOHYDROCHLORIDE, TETRAHYDRATE
Common Name English
Code System Code Type Description
PUBCHEM
139593528
Created by admin on Sat Dec 16 02:17:18 UTC 2023 , Edited by admin on Sat Dec 16 02:17:18 UTC 2023
PRIMARY
FDA UNII
I4WN3CY48U
Created by admin on Sat Dec 16 02:17:18 UTC 2023 , Edited by admin on Sat Dec 16 02:17:18 UTC 2023
PRIMARY
CAS
5956-76-3
Created by admin on Sat Dec 16 02:17:18 UTC 2023 , Edited by admin on Sat Dec 16 02:17:18 UTC 2023
PRIMARY