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Details

Stereochemistry ABSOLUTE
Molecular Formula C32H44NO8
Molecular Weight 570.6937
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 1

SHOW SMILES / InChI
Structure of (1R,2S)-2-(3,11-DIOXO-4,10-DIOXA-12-TRIDECENYL)-(1,2,3,4-TETRAHYDRO-6,7-DIMETHOXY-2-METHYL-1-VERATRYLISOQUINOLINIUM)

SMILES

COC1=CC=C(C[C@@H]2C3=C(CC[N@@+]2(C)CCC(=O)OCCCCCOC(=O)C=C)C=C(OC)C(OC)=C3)C=C1OC

InChI

InChIKey=JFTNADUFFQXKTQ-NYFMKLKXSA-N
InChI=1S/C32H44NO8/c1-7-31(34)40-17-9-8-10-18-41-32(35)14-16-33(2)15-13-24-21-29(38-5)30(39-6)22-25(24)26(33)19-23-11-12-27(36-3)28(20-23)37-4/h7,11-12,20-22,26H,1,8-10,13-19H2,2-6H3/q+1/t26-,33+/m1/s1

HIDE SMILES / InChI

Molecular Formula C32H44NO8
Molecular Weight 570.6937
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 15:22:48 UTC 2023
Edited
by admin
on Sat Dec 16 15:22:48 UTC 2023
Record UNII
Z04V1W1ACI
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
(1R,2S)-2-(3,11-DIOXO-4,10-DIOXA-12-TRIDECENYL)-(1,2,3,4-TETRAHYDRO-6,7-DIMETHOXY-2-METHYL-1-VERATRYLISOQUINOLINIUM)
Systematic Name English
TRANS-MONOACRYLATE [USP IMPURITY]
Common Name English
(1R,2S)-1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-2-methyl-2-[3-[[5-(prop-2-enoyloxy)pentyl]oxy]-3-oxopropyl]-1,2,3,4-tetrahydroisoquinolinium
Systematic Name English
5-prop-2-enoyloxypentyl 3-[(1R,2S)-1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-2-ium-2-yl]propanoate
Systematic Name English
TRANS-MONOACRYLATE
Common Name English
CISATRACURIUM BESILATE IMPURITY N [EP IMPURITY]
Common Name English
Code System Code Type Description
FDA UNII
Z04V1W1ACI
Created by admin on Sat Dec 16 15:22:49 UTC 2023 , Edited by admin on Sat Dec 16 15:22:49 UTC 2023
PRIMARY
PUBCHEM
139025640
Created by admin on Sat Dec 16 15:22:49 UTC 2023 , Edited by admin on Sat Dec 16 15:22:49 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
USP