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Details

Stereochemistry ABSOLUTE
Molecular Formula C40H48N2O6.2Cl
Molecular Weight 723.725
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of METOCURINE CHLORIDE

SMILES

[Cl-].[Cl-].COC1=CC=C2C[C@@H]3C4=C(OC5=CC=C(C[C@H]6C7=C(CC[N+]6(C)C)C=C(OC)C(OC1=C2)=C7)C=C5)C(OC)=C(OC)C=C4CC[N+]3(C)C

InChI

InChIKey=IRPSJVWFSWAZSZ-OIUSMDOTSA-L
InChI=1S/C40H48N2O6.2ClH/c1-41(2)17-15-27-22-34(44-6)36-24-30(27)31(41)19-25-9-12-29(13-10-25)47-40-38-28(23-37(45-7)39(40)46-8)16-18-42(3,4)32(38)20-26-11-14-33(43-5)35(21-26)48-36;;/h9-14,21-24,31-32H,15-20H2,1-8H3;2*1H/q+2;;/p-2/t31-,32+;;/m0../s1

HIDE SMILES / InChI

Molecular Formula ClH
Molecular Weight 36.461
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C40H48N2O6
Molecular Weight 652.8189
Charge 2
Count
Stereochemistry MIXED
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 14:59:56 UTC 2023
Edited
by admin
on Fri Dec 15 14:59:56 UTC 2023
Record UNII
15BE4G33H2
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
METOCURINE CHLORIDE
Common Name English
O,O'-DIMETHYLCHONDROCURARINE DICHLORIDE
Common Name English
DIMETHYLTUBOCURARINIUM CHLORIDE
INN  
INN  
Official Name English
6,6',7',12'-TETRAMETHOXY-2,2,2',2'-TETRAMETHYLTUBOCURARAN-2,2'-DIIUM DICHLORIDE
Common Name English
DIMETHYLCHONDOCURARINE DICHLORIDE
Common Name English
dimethyltubocurarinium chloride [INN]
Common Name English
13H-4,6:21,24-DIETHENO-8,12-METHENO-1H-PYRIDO(3',2':14,15)(1,11)DIOXACYCLOEICOSINO(2,3,4-IJ)ISOQUINOLINIUM, 2,3,13A,14,15,16,25,25A-OCTAHYDRO-9,18,19,29-TETRAMETHOXY-1,1,14,14-TETRAMETHYL-, CHLORIDE (1:2), (13AR,25AS)-
Common Name English
TUBOCURARANIUM, 6,6',7',12'-TETRAMETHOXY-2,2,2',2'-TETRAMETHYL-, DICHLORIDE
Common Name English
Code System Code Type Description
EPA CompTox
DTXSID10954969
Created by admin on Fri Dec 15 14:59:56 UTC 2023 , Edited by admin on Fri Dec 15 14:59:56 UTC 2023
PRIMARY
INN
1732
Created by admin on Fri Dec 15 14:59:56 UTC 2023 , Edited by admin on Fri Dec 15 14:59:56 UTC 2023
PRIMARY
ECHA (EC/EINECS)
251-461-1
Created by admin on Fri Dec 15 14:59:56 UTC 2023 , Edited by admin on Fri Dec 15 14:59:56 UTC 2023
PRIMARY
PUBCHEM
71931
Created by admin on Fri Dec 15 14:59:56 UTC 2023 , Edited by admin on Fri Dec 15 14:59:56 UTC 2023
PRIMARY
CAS
33335-58-9
Created by admin on Fri Dec 15 14:59:56 UTC 2023 , Edited by admin on Fri Dec 15 14:59:56 UTC 2023
PRIMARY
SMS_ID
100000082664
Created by admin on Fri Dec 15 14:59:56 UTC 2023 , Edited by admin on Fri Dec 15 14:59:56 UTC 2023
PRIMARY
NCI_THESAURUS
C166463
Created by admin on Fri Dec 15 14:59:56 UTC 2023 , Edited by admin on Fri Dec 15 14:59:56 UTC 2023
PRIMARY
ChEMBL
CHEMBL1259
Created by admin on Fri Dec 15 14:59:56 UTC 2023 , Edited by admin on Fri Dec 15 14:59:56 UTC 2023
PRIMARY
DRUG BANK
DBSALT002349
Created by admin on Fri Dec 15 14:59:56 UTC 2023 , Edited by admin on Fri Dec 15 14:59:56 UTC 2023
PRIMARY
EVMPD
SUB07178MIG
Created by admin on Fri Dec 15 14:59:56 UTC 2023 , Edited by admin on Fri Dec 15 14:59:56 UTC 2023
PRIMARY
FDA UNII
15BE4G33H2
Created by admin on Fri Dec 15 14:59:56 UTC 2023 , Edited by admin on Fri Dec 15 14:59:56 UTC 2023
PRIMARY
WIKIPEDIA
Dimethyltubocurarinium chloride
Created by admin on Fri Dec 15 14:59:56 UTC 2023 , Edited by admin on Fri Dec 15 14:59:56 UTC 2023
PRIMARY
Related Record Type Details
ACTIVE MOIETY