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Details

Stereochemistry ACHIRAL
Molecular Formula C19H22NO4S2.Br.H2O
Molecular Weight 490.432
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of TIOTROPIUM BROMIDE MONOHYDRATE

SMILES

O.[Br-].[H][C@@]12O[C@]1([H])[C@H]3C[C@H](C[C@@H]2[N+]3(C)C)OC(=O)C(O)(C4=CC=CS4)C5=CC=CS5

InChI

InChIKey=MQLXPRBEAHBZTK-SEINRUQRSA-M
InChI=1S/C19H22NO4S2.BrH.H2O/c1-20(2)12-9-11(10-13(20)17-16(12)24-17)23-18(21)19(22,14-5-3-7-25-14)15-6-4-8-26-15;;/h3-8,11-13,16-17,22H,9-10H2,1-2H3;1H;1H2/q+1;;/p-1/t11-,12-,13+,16-,17+;;

HIDE SMILES / InChI
Molecular Formula BrH
Molecular Weight 80.912
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE
Molecular Formula HO
Molecular Weight 17.0073
Charge -1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE
Molecular Formula C19H22NO4S2
Molecular Weight 392.512
Charge 1
Count
Stereochemistry EPIMERIC
Additional Stereochemistry No
Defined Stereocenters 5 / 5
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Unknown
86413
Substance Class Chemical
Created
by admin
on Fri Dec 15 17:15:51 UTC 2023
Edited
by admin
on Fri Dec 15 17:15:51 UTC 2023
Record UNII
L64SXO195N
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
TIOTROPIUM BROMIDE MONOHYDRATE
EP   MI   ORANGE BOOK   WHO-DD  
Common Name English
TIOTROPIUM BROMIDE [MART.]
Common Name English
6.BETA.,7.BETA.-EPOXY-3.BETA.-HYDROXY-8-METHYL-1.ALPHA.H,5.ALPHA.H-TROPANIUM BROMIDE, DI-2-THIENYLGLYCOLATE MONOHYDRATE
Common Name English
TIOTROPIUM BROMIDE HYDRATE
JAN  
Common Name English
TIOTROPIUM BROMIDE MONOHYDRATE [ORANGE BOOK]
Common Name English
TIOTROPIUM BROMIDE MONOHYDRATE [MI]
Common Name English
SPIRIVA RESPIMAT
Brand Name English
1.ALPHA., 2.BETA., 4.BETA, 5.ALPHA, 7.BETA-7-((HYDROXYDI-2-THIENYLACETYL)OXY)-9,9-DIMETHYL-3-OXA-9-AZONIATRICYCLO(3.3.1.0 SUP(2,4))NONANE BROMIDE MONOHYDRATE
Common Name English
TIOTROPIUM BROMIDE MONOHYDRATE [EP MONOGRAPH]
Common Name English
SPIRIVA
Brand Name English
TIOTROPIUM BROMIDE HYDRATE [JAN]
Common Name English
Tiotropium bromide monohydrate [WHO-DD]
Common Name English
Classification Tree Code System Code
NCI_THESAURUS C29704
Created by admin on Fri Dec 15 17:15:51 UTC 2023 , Edited by admin on Fri Dec 15 17:15:51 UTC 2023
Code System Code Type Description
RXCUI
1298831
Created by admin on Fri Dec 15 17:15:51 UTC 2023 , Edited by admin on Fri Dec 15 17:15:51 UTC 2023
PRIMARY RxNorm
ChEMBL
CHEMBL1900528
Created by admin on Fri Dec 15 17:15:51 UTC 2023 , Edited by admin on Fri Dec 15 17:15:51 UTC 2023
PRIMARY
CAS
411207-31-3
Created by admin on Fri Dec 15 17:15:51 UTC 2023 , Edited by admin on Fri Dec 15 17:15:51 UTC 2023
PRIMARY
EPA CompTox
DTXSID30904820
Created by admin on Fri Dec 15 17:15:51 UTC 2023 , Edited by admin on Fri Dec 15 17:15:51 UTC 2023
PRIMARY
EVMPD
SUB21897
Created by admin on Fri Dec 15 17:15:51 UTC 2023 , Edited by admin on Fri Dec 15 17:15:51 UTC 2023
PRIMARY
CAS
139404-48-1
Created by admin on Fri Dec 15 17:15:51 UTC 2023 , Edited by admin on Fri Dec 15 17:15:51 UTC 2023
NON-SPECIFIC STOICHIOMETRY
FDA UNII
L64SXO195N
Created by admin on Fri Dec 15 17:15:51 UTC 2023 , Edited by admin on Fri Dec 15 17:15:51 UTC 2023
PRIMARY
CHEBI
32230
Created by admin on Fri Dec 15 17:15:51 UTC 2023 , Edited by admin on Fri Dec 15 17:15:51 UTC 2023
PRIMARY
MERCK INDEX
m10880
Created by admin on Fri Dec 15 17:15:51 UTC 2023 , Edited by admin on Fri Dec 15 17:15:51 UTC 2023
PRIMARY Merck Index
DRUG BANK
DBSALT001524
Created by admin on Fri Dec 15 17:15:51 UTC 2023 , Edited by admin on Fri Dec 15 17:15:51 UTC 2023
PRIMARY
NCI_THESAURUS
C61974
Created by admin on Fri Dec 15 17:15:51 UTC 2023 , Edited by admin on Fri Dec 15 17:15:51 UTC 2023
PRIMARY
DAILYMED
L64SXO195N
Created by admin on Fri Dec 15 17:15:51 UTC 2023 , Edited by admin on Fri Dec 15 17:15:51 UTC 2023
PRIMARY
SMS_ID
100000088501
Created by admin on Fri Dec 15 17:15:51 UTC 2023 , Edited by admin on Fri Dec 15 17:15:51 UTC 2023
PRIMARY
Related Record Type Details
Structure of TIOTROPIUM BROMIDE ANHYDROUS
ANHYDROUS->SOLVATE
Structure of TIOTROPIUM
PARENT -> SALT/SOLVATE
Related Record Type Details
Structure of METHSCOPINE
IMPURITY -> PARENT
Structure of (2RS,3aSR,5RS,6RS,6aRS)-6-Hydroxy-4,4-dimethylhexahydro-2H-2,5-methanofuro[3,2-b]pyrrol-4-ium
IMPURITY -> PARENT
Structure of (1R,3s,5S)-3-[[hydroxy[di(thiophen-2-yl)]acetyl]oxy]-8,8-dimethyl-8-azabicyclo[3.2.1]oct-6-en-8-ium
IMPURITY -> PARENT
Structure of Methyl 2,2-di(2-thienyl)glycolate
IMPURITY -> PARENT
intermediate
Related Record Type Details
Structure of TIOTROPIUM
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