ROCURONIUM

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NCATS

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C32H53N2O4
Molecular Weight	529.7742
Optical Activity	UNSPECIFIED
Defined Stereocenters	10 / 10
E/Z Centers	0
Charge	1

SHOW SMILES / InChI

Structure of ROCURONIUM

Structure Search

SMILES

[H][C@@]12C[C@@H]([C@H](OC(C)=O)[C@@]1(C)CC[C@@]3([H])[C@@]2([H])CC[C@@]4([H])C[C@H](O)[C@H](C[C@]34C)N5CCOCC5)[N+]6(CC=C)CCCC6

InChI

InChIKey=YXRDKMPIGHSVRX-OOJCLDBCSA-N

InChI=1S/C32H53N2O4/c1-5-14-34(15-6-7-16-34)28-20-26-24-9-8-23-19-29(36)27(33-12-17-37-18-13-33)21-32(23,4)25(24)10-11-31(26,3)30(28)38-22(2)35/h5,23-30,36H,1,6-21H2,2-4H3/q+1/t23-,24+,25-,26-,27-,28-,29-,30-,31-,32-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C32H52N2O4
Molecular Weight	528.7663
Charge	0
Count

Stereochemistry	EPIMERIC
Additional Stereochemistry	No
Defined Stereocenters	10 / 10
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 15:44:19 UTC 2023` Edited by `admin` on `Fri Dec 15 15:44:19 UTC 2023`
Record UNII	WRE554RFEZ
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ROCURONIUM

Common Name

English

ROCURONIUM ION

Common Name

English

ROCURONIUM [MI]

Common Name

English

Rocuronium [WHO-DD]

Common Name

English

PYRROLIDINIUM, 1-((2.BETA.,3.ALPHA.,5.ALPHA.,16.BETA.,17.BETA.)-17-(ACETYLOXY)-3-HYDROXY-2-(4-MORPHOLINYL)ANDROSTAN-16-YL)-1-(2-PROPENYL)-

Systematic Name

English

ROCURONIUM CATION

Common Name

English

Classification Tree Code System Code

NCI_THESAURUS

C66886

Created by admin on Fri Dec 15 15:44:19 UTC 2023 , Edited by admin on Fri Dec 15 15:44:19 UTC 2023

NDF-RT

N0000175732

Created by admin on Fri Dec 15 15:44:19 UTC 2023 , Edited by admin on Fri Dec 15 15:44:19 UTC 2023

NDF-RT

N0000175720

Created by admin on Fri Dec 15 15:44:19 UTC 2023 , Edited by admin on Fri Dec 15 15:44:19 UTC 2023

WHO-ATC

M03AC09

Created by admin on Fri Dec 15 15:44:19 UTC 2023 , Edited by admin on Fri Dec 15 15:44:19 UTC 2023

Code System Code Type Description

SMS_ID

100000084941

Created by admin on Fri Dec 15 15:44:19 UTC 2023 , Edited by admin on Fri Dec 15 15:44:19 UTC 2023

PRIMARY

NCI_THESAURUS

C80999

Created by admin on Fri Dec 15 15:44:19 UTC 2023 , Edited by admin on Fri Dec 15 15:44:19 UTC 2023

PRIMARY

PUBCHEM

441290

Created by admin on Fri Dec 15 15:44:19 UTC 2023 , Edited by admin on Fri Dec 15 15:44:19 UTC 2023

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LACTMED

Rocuronium

Created by admin on Fri Dec 15 15:44:19 UTC 2023 , Edited by admin on Fri Dec 15 15:44:19 UTC 2023

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DRUG BANK

DB00728

Created by admin on Fri Dec 15 15:44:19 UTC 2023 , Edited by admin on Fri Dec 15 15:44:19 UTC 2023

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DAILYMED

WRE554RFEZ

Created by admin on Fri Dec 15 15:44:19 UTC 2023 , Edited by admin on Fri Dec 15 15:44:19 UTC 2023

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RXCUI

68139

Created by admin on Fri Dec 15 15:44:19 UTC 2023 , Edited by admin on Fri Dec 15 15:44:19 UTC 2023

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RxNorm

WIKIPEDIA

Rocuronium

Created by admin on Fri Dec 15 15:44:19 UTC 2023 , Edited by admin on Fri Dec 15 15:44:19 UTC 2023

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DRUG CENTRAL

2396

Created by admin on Fri Dec 15 15:44:19 UTC 2023 , Edited by admin on Fri Dec 15 15:44:19 UTC 2023

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EVMPD

SUB04260MIG

Created by admin on Fri Dec 15 15:44:19 UTC 2023 , Edited by admin on Fri Dec 15 15:44:19 UTC 2023

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MESH

C061870

Created by admin on Fri Dec 15 15:44:19 UTC 2023 , Edited by admin on Fri Dec 15 15:44:19 UTC 2023

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CAS

143558-00-3

Created by admin on Fri Dec 15 15:44:19 UTC 2023 , Edited by admin on Fri Dec 15 15:44:19 UTC 2023

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MERCK INDEX

m9645

Created by admin on Fri Dec 15 15:44:19 UTC 2023 , Edited by admin on Fri Dec 15 15:44:19 UTC 2023

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Merck Index

IUPHAR

4003

Created by admin on Fri Dec 15 15:44:19 UTC 2023 , Edited by admin on Fri Dec 15 15:44:19 UTC 2023

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EPA CompTox

DTXSID6048339

Created by admin on Fri Dec 15 15:44:19 UTC 2023 , Edited by admin on Fri Dec 15 15:44:19 UTC 2023

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FDA UNII

WRE554RFEZ

Created by admin on Fri Dec 15 15:44:19 UTC 2023 , Edited by admin on Fri Dec 15 15:44:19 UTC 2023

PRIMARY

Related Record Type Details


					8VS467C8OK

NEURONAL ACETYLCHOLINE RECEPTOR SUBUNIT ALPHA-2

TARGET -> INHIBITOR


					361LPM2T56

BINDER->LIGAND

Amount:


					I65MW4OFHZ

ROCURONIUM BROMIDE

SALT/SOLVATE -> PARENT


					U87RX375T5

MUSCARINIC ACETYLCHOLINE RECEPTOR M2

TARGET -> INHIBITOR


					6D53G0FD0Z

PLASMA PROTEIN FRACTION (HUMAN)

BINDER->LIGAND

Interaction Type:

BINDING

Amount:

Related Record Type Details


					V79VN3HWQZ

DESACETYLROCURONIUM

METABOLITE -> PARENT

Comments:

17-desacetyl-rocuronium has been found in negligible amounts

Interaction Type:

MINOR

Qualification:

URINE

Related Record Type Details


					WRE554RFEZ

ACTIVE MOIETY

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