CISATRACURIUM

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NCATS

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C53H72N2O12
Molecular Weight	929.145
Optical Activity	UNSPECIFIED
Defined Stereocenters	4 / 4
E/Z Centers	0
Charge	2

SHOW SMILES / InChI

Structure of CISATRACURIUM

Structure Search

SMILES

COC1=C(OC)C=C(C[C@@H]2C3=CC(OC)=C(OC)C=C3CC[N@+]2(C)CCC(=O)OCCCCCOC(=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=YXSLJKQTIDHPOT-LJCJQEJUSA-N

InChI=1S/C53H72N2O12/c1-54(22-18-38-32-48(62-7)50(64-9)34-40(38)42(54)28-36-14-16-44(58-3)46(30-36)60-5)24-20-52(56)66-26-12-11-13-27-67-53(57)21-25-55(2)23-19-39-33-49(63-8)51(65-10)35-41(39)43(55)29-37-15-17-45(59-4)47(31-37)61-6/h14-17,30-35,42-43H,11-13,18-29H2,1-10H3/q+2/t42-,43-,54-,55-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C53H72N2O12
Molecular Weight	929.145
Charge	2
Count

Stereochemistry	MIXED
Additional Stereochemistry	No
Defined Stereocenters	2 / 4
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 15:45:22 UTC 2023` Edited by `admin` on `Fri Dec 15 15:45:22 UTC 2023`
Record UNII	QX62KLI41N
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

CISATRACURIUM

Common Name

English

CISATRACURIUM ION

Common Name

English

(1R,2R,1'R,2'R)-2,2'-(PENTANE-1,5-DIYLBIS(OXY(3-OXOPROPANE-3,1-DIYL)))BIS(1-(3,4-DIMETHOXYBENZYL)-6,7-DIMETHOXY-2-METHYL-1,2,3,4-TETRAHYDROISOQUINOLINIUM)

Common Name

English

CISATRACURIUM CATION

Common Name

English

Cisatracurium [WHO-DD]

Common Name

English

ISOQUINOLINIUM, 2,2'-(1,5-PENTANEDIYLBIS(OXY(3-OXO-3,1-PROPANEDIYL)))BIS(1-((3,4-DIMETHOXYPHENYL)METHYL)-1,2,3,4-TETRAHYDRO-6,7-DIMETHOXY-2-METHYL-, (1R,2R,1'R,2'R)-

Common Name

English

CISATRACURIUM [VANDF]

Common Name

English

Classification Tree Code System Code

NDF-RT

N0000175720

Created by admin on Fri Dec 15 15:45:22 UTC 2023 , Edited by admin on Fri Dec 15 15:45:22 UTC 2023

WHO-ATC

M03AC11

Created by admin on Fri Dec 15 15:45:22 UTC 2023 , Edited by admin on Fri Dec 15 15:45:22 UTC 2023

NDF-RT

N0000175732

Created by admin on Fri Dec 15 15:45:22 UTC 2023 , Edited by admin on Fri Dec 15 15:45:22 UTC 2023

WHO-VATC

QM03AC11

Created by admin on Fri Dec 15 15:45:22 UTC 2023 , Edited by admin on Fri Dec 15 15:45:22 UTC 2023

NCI_THESAURUS

C66886

Created by admin on Fri Dec 15 15:45:22 UTC 2023 , Edited by admin on Fri Dec 15 15:45:22 UTC 2023

Code System Code Type Description

LACTMED

Cisatracurium

Created by admin on Fri Dec 15 15:45:22 UTC 2023 , Edited by admin on Fri Dec 15 15:45:22 UTC 2023

PRIMARY

DAILYMED

QX62KLI41N

Created by admin on Fri Dec 15 15:45:22 UTC 2023 , Edited by admin on Fri Dec 15 15:45:22 UTC 2023

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EPA CompTox

DTXSID60873212

Created by admin on Fri Dec 15 15:45:22 UTC 2023 , Edited by admin on Fri Dec 15 15:45:22 UTC 2023

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EVMPD

SUB01319MIG

Created by admin on Fri Dec 15 15:45:22 UTC 2023 , Edited by admin on Fri Dec 15 15:45:22 UTC 2023

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NCI_THESAURUS

C77365

Created by admin on Fri Dec 15 15:45:22 UTC 2023 , Edited by admin on Fri Dec 15 15:45:22 UTC 2023

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DRUG CENTRAL

661

Created by admin on Fri Dec 15 15:45:22 UTC 2023 , Edited by admin on Fri Dec 15 15:45:22 UTC 2023

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FDA UNII

QX62KLI41N

Created by admin on Fri Dec 15 15:45:22 UTC 2023 , Edited by admin on Fri Dec 15 15:45:22 UTC 2023

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CAS

96946-41-7

Created by admin on Fri Dec 15 15:45:22 UTC 2023 , Edited by admin on Fri Dec 15 15:45:22 UTC 2023

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MESH

C101584

Created by admin on Fri Dec 15 15:45:22 UTC 2023 , Edited by admin on Fri Dec 15 15:45:22 UTC 2023

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SMS_ID

100000087946

Created by admin on Fri Dec 15 15:45:22 UTC 2023 , Edited by admin on Fri Dec 15 15:45:22 UTC 2023

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DRUG BANK

DB00565

Created by admin on Fri Dec 15 15:45:22 UTC 2023 , Edited by admin on Fri Dec 15 15:45:22 UTC 2023

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RXCUI

319864

Created by admin on Fri Dec 15 15:45:22 UTC 2023 , Edited by admin on Fri Dec 15 15:45:22 UTC 2023

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RxNorm

WIKIPEDIA

Cisatracurium

Created by admin on Fri Dec 15 15:45:22 UTC 2023 , Edited by admin on Fri Dec 15 15:45:22 UTC 2023

PRIMARY

PUBCHEM

62887

Created by admin on Fri Dec 15 15:45:22 UTC 2023 , Edited by admin on Fri Dec 15 15:45:22 UTC 2023

PRIMARY

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CISATRACURIUM BESYLATE

SALT/SOLVATE -> PARENT

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METABOLITE ACTIVE -> PARENT

Interaction Type:

MAJOR

Amount:

Related Record Type Details


					QX62KLI41N

ACTIVE MOIETY

Name	Property Type	Amount	Referenced Substance	Defining	Parameters	References
Biological Half-life	PHARMACOKINETIC