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Details

Stereochemistry ABSOLUTE
Molecular Formula C18H24NO4.CH3O4S
Molecular Weight 429.485
Optical Activity UNSPECIFIED
Defined Stereocenters 6 / 6
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of N-METHYLSCOPOLAMINE METHYLSULFATE

SMILES

COS([O-])(=O)=O.[H][C@@]12O[C@]1([H])[C@H]3C[C@H](C[C@@H]2[N+]3(C)C)OC(=O)[C@H](CO)C4=CC=CC=C4

InChI

InChIKey=KHMGIQHRSVLFQG-RAFJPFSSSA-M
InChI=1S/C18H24NO4.CH4O4S/c1-19(2)14-8-12(9-15(19)17-16(14)23-17)22-18(21)13(10-20)11-6-4-3-5-7-11;1-5-6(2,3)4/h3-7,12-17,20H,8-10H2,1-2H3;1H3,(H,2,3,4)/q+1;/p-1/t12-,13-,14-,15+,16-,17+;/m1./s1

HIDE SMILES / InChI

Molecular Formula CH3O4S
Molecular Weight 111.097
Charge -1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C18H24NO4
Molecular Weight 318.3875
Charge 1
Count
Stereochemistry EPIMERIC
Additional Stereochemistry No
Defined Stereocenters 6 / 6
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 04:41:28 UTC 2023
Edited
by admin
on Sat Dec 16 04:41:28 UTC 2023
Record UNII
R044N53C06
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
N-METHYLSCOPOLAMINE METHYLSULFATE
JAN  
Common Name English
ULIX
Brand Name English
N-METHYLSCOPOLAMINE METHYL SULFATE
Common Name English
METHYLSCOPOLAMMONIUM METHYLSULFATE
Common Name English
DAIPIN
Brand Name English
N-METHYLSCOPOLAMINE METHOSULFATE
Common Name English
N-METHYLSCOPOLAMINE METHYLSULFATE [JAN]
Common Name English
N-METHYLSCOPOLAMMONIUM METHOSULFATE
Common Name English
DD-234
Code English
SANDRIX
Brand Name English
ESPASMO GASIUM
Brand Name English
N-METHYLSCOPOLAMMONIUM METHYL SULFATE
Common Name English
METHSCOPOLAMINE METHYLSULFATE
Common Name English
Hyoscine metilsulfate [WHO-DD]
Common Name English
N-METHYLHYOSCINE METHYL SULFATE
Common Name English
METHYLSCOPOLAMINE METHYL SULFATE
Common Name English
3-OXA-9-AZONIATRICYCLO(3.3.1.02,4)NONANE, 7-(3-HYDROXY-1-OXO-2-PHENYLPROPOXY)-9,9-DIMETHYL-, (7(S)-(1.ALPHA.,2.BETA.,4.BETA.,5.ALPHA.,7.BETA.))-, METHYL SULFATE (SALT)
Common Name English
HYOSCINE METILSULFATE
WHO-DD  
Common Name English
TROPIC ACID, (-)-, ESTER WITH 6.BETA.,7.BETA.-EPOXY-3.ALPHA.-HYDROXY-8-METHYL-1.ALPHA.H,5.ALPHA.H-TROPANIUM METHYL SULFATE
Common Name English
1.ALPHA.H,5.ALPHA.H-TROPANIUM, 6.BETA.,7.BETA.-EPOXY-3.ALPHA.-HYDROXY-8-METHYL-, METHYL SULFATE, (-)-TROPATE
Common Name English
Code System Code Type Description
EVMPD
SUB14159MIG
Created by admin on Sat Dec 16 04:41:28 UTC 2023 , Edited by admin on Sat Dec 16 04:41:28 UTC 2023
PRIMARY
SMS_ID
100000077608
Created by admin on Sat Dec 16 04:41:28 UTC 2023 , Edited by admin on Sat Dec 16 04:41:28 UTC 2023
PRIMARY
FDA UNII
R044N53C06
Created by admin on Sat Dec 16 04:41:28 UTC 2023 , Edited by admin on Sat Dec 16 04:41:28 UTC 2023
PRIMARY
ChEMBL
CHEMBL1201268
Created by admin on Sat Dec 16 04:41:28 UTC 2023 , Edited by admin on Sat Dec 16 04:41:28 UTC 2023
PRIMARY
EPA CompTox
DTXSID50939371
Created by admin on Sat Dec 16 04:41:28 UTC 2023 , Edited by admin on Sat Dec 16 04:41:28 UTC 2023
PRIMARY
EVMPD
SUB36127
Created by admin on Sat Dec 16 04:41:28 UTC 2023 , Edited by admin on Sat Dec 16 04:41:28 UTC 2023
ALTERNATIVE
CAS
18067-13-5
Created by admin on Sat Dec 16 04:41:28 UTC 2023 , Edited by admin on Sat Dec 16 04:41:28 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE
Related Record Type Details
ACTIVE MOIETY