2,2′-[(3-methylpentane-1,5-diyl)bis[oxy(3-oxopropane-3,1-diyl)]]bis[(1R,2R)-1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinolinium]

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C54H74N2O12
Molecular Weight	943.1716
Optical Activity	UNSPECIFIED
Defined Stereocenters	4 / 4
E/Z Centers	0
Charge	2

SHOW SMILES / InChI

Structure of 2,2′-[(3-methylpentane-1,5-diyl)bis[oxy(3-oxopropane-3,1-diyl)]]bis[(1R,2R)-1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinolinium]

Structure Search

SMILES

COC1=C(OC)C=C(C[C@@H]2C3=CC(OC)=C(OC)C=C3CC[N@+]2(C)CCC(=O)OCCC(C)CCOC(=O)CC[N@@+]4(C)CCC5=CC(OC)=C(OC)C=C5[C@H]4CC6=CC(OC)=C(OC)C=C6)C=C1

InChI

InChIKey=IRCARIJAUYKSGC-MJQWJGMHSA-N

InChI=1S/C54H74N2O12/c1-36(20-26-67-53(57)18-24-55(2)22-16-39-32-49(63-8)51(65-10)34-41(39)43(55)28-37-12-14-45(59-4)47(30-37)61-6)21-27-68-54(58)19-25-56(3)23-17-40-33-50(64-9)52(66-11)35-42(40)44(56)29-38-13-15-46(60-5)48(31-38)62-7/h12-15,30-36,43-44H,16-29H2,1-11H3/q+2/t43-,44-,55-,56-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C54H74N2O12
Molecular Weight	943.1716
Charge	2
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	4 / 4
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 19:35:08 UTC 2023` Edited by `admin` on `Sat Dec 16 19:35:08 UTC 2023`
Record UNII	5PCJ35S55Z
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

2,2′-[(3-methylpentane-1,5-diyl)bis[oxy(3-oxopropane-3,1-diyl)]]bis[(1R,2R)-1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinolinium]

Systematic Name

English

Isoquinolinium, 2,2′-[(3-methyl-1,5-pentanediyl)bis[oxy(3-oxo-3,1-propanediyl)]]bis[1-[(3,4-dimethoxyphenyl)methyl]-1,2,3,4-tetrahydro-6,7-dimethoxy-2-methyl-, (1R,1′R,2R,2′R)-

Systematic Name

English

(1R,1′R,2R,2′R)-2,2′-[(3-Methyl-1,5-pentanediyl)bis[oxy(3-oxo-3,1-propanediyl)]]bis[1-[(3,4-dimethoxyphenyl)methyl]-1,2,3,4-tetrahydro-6,7-dimethoxy-2-methylisoquinolinium]

Systematic Name

English

[5-[3-[(1R,2R)-1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-2-ium-2-yl]propanoyloxy]-3-methylpentyl]3-[(1R,2R)-1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-2-ium-2-yl]propanoate

Systematic Name

English

Cisatracurium Besilate Impurity K [Ep Impurity]

Common Name

English

Code System Code Type Description

FDA UNII

5PCJ35S55Z

Created by admin on Sat Dec 16 19:35:08 UTC 2023 , Edited by admin on Sat Dec 16 19:35:08 UTC 2023

PRIMARY

PUBCHEM

56605136

Created by admin on Sat Dec 16 19:35:08 UTC 2023 , Edited by admin on Sat Dec 16 19:35:08 UTC 2023

PRIMARY

CAS

1193104-79-8

Created by admin on Sat Dec 16 19:35:08 UTC 2023 , Edited by admin on Sat Dec 16 19:35:08 UTC 2023

PRIMARY

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					5PCJ35S55Z

2,2′-[(3-methylpentane-1,5-diyl)bis[oxy(3-oxopropane-3,1-diyl)]]bis[(1R,2R)-1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinolinium]

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