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Details

Stereochemistry ABSOLUTE
Molecular Formula C53H72N2O12.2C6H5O3S
Molecular Weight 1243.479
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CISATRACURIUM BESYLATE

SMILES

[O-]S(=O)(=O)C1=CC=CC=C1.[O-]S(=O)(=O)C2=CC=CC=C2.COC3=C(OC)C=C(C[C@@H]4C5=CC(OC)=C(OC)C=C5CC[N@+]4(C)CCC(=O)OCCCCCOC(=O)CC[N@@+]6(C)CCC7=CC(OC)=C(OC)C=C7[C@H]6CC8=CC(OC)=C(OC)C=C8)C=C3

InChI

InChIKey=XXZSQOVSEBAPGS-DONVQRBFSA-L
InChI=1S/C53H72N2O12.2C6H6O3S/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;2*7-10(8,9)6-4-2-1-3-5-6/h14-17,30-35,42-43H,11-13,18-29H2,1-10H3;2*1-5H,(H,7,8,9)/q+2;;/p-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
Molecular Formula C6H5O3S
Molecular Weight 157.167
Charge -1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Unknown
86413
Substance Class Chemical
Created
by admin
on Fri Dec 15 15:56:05 UTC 2023
Edited
by admin
on Fri Dec 15 15:56:05 UTC 2023
Record UNII
80YS8O1MBS
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CISATRACURIUM BESYLATE
MI   ORANGE BOOK   USAN   USP-RS   VANDF  
USAN  
Official Name English
CISATRACURIUM BESILATE
INN   MART.   WHO-DD  
INN  
Official 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,1'R,2R,2'R)-, BENZENESULFONATE (1:2)
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,1'R,2R,2'R)-, DIBENZENESULFONATE
Common Name English
CISATRACURIUM BESILATE [MART.]
Common Name English
CISATRACURIUM BESYLATE [MI]
Common Name English
CISATRACURIUM BESILATE [EP MONOGRAPH]
Common Name English
51W89
Code 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-, DIBENZENESULPHONATE, (1R-(1.ALPHA.,2.ALPHA.(1'R*,2'R*)))-
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-, DIBENZENESULFONATE, (1R-(1.ALPHA.,2.ALPHA.(1'R*,2'R*)))-
Common Name English
CISATRACURIUM (AS BESILATE)
Common Name English
CISATRACURIUM BESYLATE [VANDF]
Common Name English
51W-89
Code English
Cisatracurium besilate [WHO-DD]
Common Name English
CISATRACURIUM BESYLATE [USP MONOGRAPH]
Common Name English
CISATRACURIUM BESYLATE [USAN]
Common Name English
CISATRACURIUM BESYLATE [USP-RS]
Common Name English
CISATRACURIUM BESYLATE [ORANGE BOOK]
Common Name English
51-W89
Code English
NIMBEX
Brand Name English
(1R,2R)-2-(2-Carboxyethyl)-1,2,3,4-tetrahydro-6,7-dimethoxy-2-methyl-1-veratrylisoquinolinium benzenesulfonate, pentamethylene ester
Common Name English
cisatracurium besilate [INN]
Common Name English
51-W-89
Code English
Classification Tree Code System Code
NCI_THESAURUS C66886
Created by admin on Fri Dec 15 15:56:05 UTC 2023 , Edited by admin on Fri Dec 15 15:56:05 UTC 2023
Code System Code Type Description
MERCK INDEX
m2129
Created by admin on Fri Dec 15 15:56:05 UTC 2023 , Edited by admin on Fri Dec 15 15:56:05 UTC 2023
PRIMARY Merck Index
USAN
FF-81
Created by admin on Fri Dec 15 15:56:05 UTC 2023 , Edited by admin on Fri Dec 15 15:56:05 UTC 2023
PRIMARY
SMS_ID
100000090476
Created by admin on Fri Dec 15 15:56:05 UTC 2023 , Edited by admin on Fri Dec 15 15:56:05 UTC 2023
PRIMARY
FDA UNII
80YS8O1MBS
Created by admin on Fri Dec 15 15:56:05 UTC 2023 , Edited by admin on Fri Dec 15 15:56:05 UTC 2023
PRIMARY
WIKIPEDIA
CISATRACURIUM BESILATE
Created by admin on Fri Dec 15 15:56:05 UTC 2023 , Edited by admin on Fri Dec 15 15:56:05 UTC 2023
PRIMARY
EPA CompTox
DTXSID10895045
Created by admin on Fri Dec 15 15:56:05 UTC 2023 , Edited by admin on Fri Dec 15 15:56:05 UTC 2023
PRIMARY
DRUG BANK
DB00565
Created by admin on Fri Dec 15 15:56:05 UTC 2023 , Edited by admin on Fri Dec 15 15:56:05 UTC 2023
PRIMARY
RXCUI
136561
Created by admin on Fri Dec 15 15:56:05 UTC 2023 , Edited by admin on Fri Dec 15 15:56:05 UTC 2023
PRIMARY RxNorm
EVMPD
SUB07480MIG
Created by admin on Fri Dec 15 15:56:05 UTC 2023 , Edited by admin on Fri Dec 15 15:56:05 UTC 2023
PRIMARY
NCI_THESAURUS
C47451
Created by admin on Fri Dec 15 15:56:05 UTC 2023 , Edited by admin on Fri Dec 15 15:56:05 UTC 2023
PRIMARY
DAILYMED
80YS8O1MBS
Created by admin on Fri Dec 15 15:56:05 UTC 2023 , Edited by admin on Fri Dec 15 15:56:05 UTC 2023
PRIMARY
PUBCHEM
62886
Created by admin on Fri Dec 15 15:56:05 UTC 2023 , Edited by admin on Fri Dec 15 15:56:05 UTC 2023
PRIMARY
CAS
96946-42-8
Created by admin on Fri Dec 15 15:56:05 UTC 2023 , Edited by admin on Fri Dec 15 15:56:05 UTC 2023
PRIMARY
CHEBI
3721
Created by admin on Fri Dec 15 15:56:05 UTC 2023 , Edited by admin on Fri Dec 15 15:56:05 UTC 2023
PRIMARY
ChEMBL
CHEMBL1201248
Created by admin on Fri Dec 15 15:56:05 UTC 2023 , Edited by admin on Fri Dec 15 15:56:05 UTC 2023
PRIMARY
INN
7389
Created by admin on Fri Dec 15 15:56:05 UTC 2023 , Edited by admin on Fri Dec 15 15:56:05 UTC 2023
PRIMARY
RS_ITEM_NUM
1134118
Created by admin on Fri Dec 15 15:56:05 UTC 2023 , Edited by admin on Fri Dec 15 15:56:05 UTC 2023
PRIMARY
Related Record Type Details
Structure of CISATRACURIUM
PARENT -> SALT/SOLVATE
Structure of BENZENESULFONIC ACID
PARENT -> SALT/SOLVATE
Related Record Type Details
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]
IMPURITY -> PARENT
Structure of N-DESMETHYL ATRACURIUM
IMPURITY -> PARENT
CHROMATOGRAPHIC PURITY (HPLC/UV)
USP
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)
IMPURITY -> PARENT
CHROMATOGRAPHIC PURITY (HPLC/UV)
USP
Structure of (1R,1R,2S,2S)-2,2-(3,11-DIOXO-4,10-DIOXATRIDECAMETHYLENE)BIS(1,2,3,4-TETRAHYDRO-6,7-DIMETHOXY-2-METHYL-1-VERATRYLISOQUINOLINIUM).
IMPURITY -> PARENT
CHROMATOGRAPHIC PURITY (HPLC/UV)
USP
Structure of 2,2′-[1,6-Hexanediylbis[oxy(3-oxo-3,1-propanediyl)]]bis[1-[(3,4-dimethoxyphenyl)methyl]-1,2,3,4-tetrahydro-6,7-dimethoxy-2-methylisoquinolinium], (1R,1′R,2R,2′R)-
IMPURITY -> PARENT
Structure of (1R,1R,2R,2R)-2,2-(3,7,15-TRIOXO-4,8,14-TRIOXA-HEPTADECAMETHYLENE)BIS(1,2,3,4-TETRAHYDRO-6,7-DIMETHOXY-2-METHYL-1-VERATRYLISOQUINOLINIUM)
IMPURITY -> PARENT
CHROMATOGRAPHIC PURITY (HPLC/UV)
USP
Structure of (1R,2R)-2-[3-[[5-(acetyloxy)pentyl]oxy]]-1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-2-methyl-3-oxopropyl-1,2,3,4-tetrahydroisoquinolinium
IMPURITY -> PARENT
Structure of ATRACURIUM, (1R,2R,1'R,2'S)-(±)-
IMPURITY -> PARENT
Structure of LAUDANOSINE, (R)-
IMPURITY -> PARENT
CHROMATOGRAPHIC PURITY (HPLC/UV)
USP
Structure of (1R,2R)-1,2,3,4-TETRAHYDRO-2-(9-HYDROXY-3-OXO-4-OXANONYL)-6,7-DIMETHOXY-2-METHYL-1-VERATRYLISOQUINOLINIUM
IMPURITY -> PARENT
CHROMATOGRAPHIC PURITY (HPLC/UV)
USP
Structure of (R)-1,2,3,4-TETRAHYDRO-6,7-DIMETHOXY-2,2-DIMETHYL-1-VERATRYLISOQUINOLINIUM
IMPURITY -> PARENT
CHROMATOGRAPHIC PURITY (HPLC/UV)
USP
Structure of (R,R)-N,N'-DIDEMETHYL ATRACURIUM
IMPURITY -> PARENT
Structure of (1R,2R)-1,2,3,4-TETRAHYDRO-6,7-DIMETHOXY-2-(2-(METHOXYCARBONYL)ETHYL)-2-METHYL-1-VERATRYLISOQUINOLINIUM
IMPURITY -> PARENT
CHROMATOGRAPHIC PURITY (HPLC/UV)
USP
Structure of (1R,2S)-1-[(3,4-dimethoxyphenyl)methyl]-2-[3-[(5-hydroxypentyl)oxy]-3-oxopropyl]-6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinolinium
IMPURITY -> PARENT
Structure of (1R,2R)-2-(2-CARBOXYETHYL)-1,2,3,4-TETRAHYDRO-6,7-DIMETHOXY-2-METHYL-1-VERATRYLISOQUINOLINIUM
IMPURITY -> PARENT
CHROMATOGRAPHIC PURITY (HPLC/UV)
USP
Related Record Type Details
Structure of CISATRACURIUM
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