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Details

Stereochemistry ABSOLUTE
Molecular Formula C25H34NO6
Molecular Weight 444.5406
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 1

SHOW SMILES / InChI
Structure of (1R,2R)-1,2,3,4-TETRAHYDRO-6,7-DIMETHOXY-2-(2-(METHOXYCARBONYL)ETHYL)-2-METHYL-1-VERATRYLISOQUINOLINIUM

SMILES

COC(=O)CC[N@@+]1(C)CCC2=C(C=C(OC)C(OC)=C2)[C@H]1CC3=CC=C(OC)C(OC)=C3

InChI

InChIKey=URPMICKORAFENV-FQRUVTKNSA-N
InChI=1S/C25H34NO6/c1-26(12-10-25(27)32-6)11-9-18-15-23(30-4)24(31-5)16-19(18)20(26)13-17-7-8-21(28-2)22(14-17)29-3/h7-8,14-16,20H,9-13H2,1-6H3/q+1/t20-,26-/m1/s1

HIDE SMILES / InChI

Molecular Formula C25H34NO6
Molecular Weight 444.5406
Charge 1
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 Dec 16 15:29:50 UTC 2023
Edited
by admin
on Sat Dec 16 15:29:50 UTC 2023
Record UNII
S2W4W303EA
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
(1R,2R)-1,2,3,4-TETRAHYDRO-6,7-DIMETHOXY-2-(2-(METHOXYCARBONYL)ETHYL)-2-METHYL-1-VERATRYLISOQUINOLINIUM
Systematic Name English
CIS-QUATERNARY METHYL ESTER [USP IMPURITY]
Common Name English
CISATRACURIUM BESILATE IMPURITY D [EP IMPURITY]
Common Name English
ISOQUINOLINIUM, 1-((3,4-DIMETHOXYPHENYL)METHYL)-1,2,3,4-TETRAHYDRO-6,7-DIMETHOXY-2-(3-METHOXY-3-OXOPROPYL)-2-METHYL-, (1R,2R)-
Systematic Name English
(1R,2R)-1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-2-(3-methoxy-3-oxopropyl)-2-methyl-1,2,3,4-tetrahydroisoquinolinium
Systematic Name English
Code System Code Type Description
FDA UNII
S2W4W303EA
Created by admin on Sat Dec 16 15:29:50 UTC 2023 , Edited by admin on Sat Dec 16 15:29:50 UTC 2023
PRIMARY
CAS
1075726-87-2
Created by admin on Sat Dec 16 15:29:50 UTC 2023 , Edited by admin on Sat Dec 16 15:29:50 UTC 2023
PRIMARY
PUBCHEM
25155118
Created by admin on Sat Dec 16 15:29:50 UTC 2023 , Edited by admin on Sat Dec 16 15:29:50 UTC 2023
PRIMARY
Related Record Type Details
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CHROMATOGRAPHIC PURITY (HPLC/UV)
USP