TIOTROPIUM BROMIDE MONOMETHANOLATE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C19H22NO4S2.CH4O.Br
Molecular Weight	504.458
Optical Activity	UNSPECIFIED
Defined Stereocenters	5 / 5
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of TIOTROPIUM BROMIDE MONOMETHANOLATE

Structure Search

SMILES

[Br-].CO.[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=QTNPJYICQOWQRI-SEINRUQRSA-M

InChI=1S/C19H22NO4S2.CH4O.BrH/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;1-2;/h3-8,11-13,16-17,22H,9-10H2,1-2H3;2H,1H3;1H/q+1;;/p-1/t11-,12-,13+,16-,17+;;

HIDE SMILES / InChI

Molecular Formula	CH3O
Molecular Weight	31.0339
Charge	-1
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

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	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

Substance Class	Chemical Created by `admin` on `Sat Dec 16 10:24:48 UTC 2023` Edited by `admin` on `Sat Dec 16 10:24:48 UTC 2023`
Record UNII	2292GX2183
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

TIOTROPIUM BROMIDE MONOMETHANOLATE

Common Name

English

3-OXA-9-AZONIATRICYCLO(3.3.1.02,4)NONANE, 7-((2-HYDROXY-2,2-DI-2-THIENYLACETYL)OXY)-9,9-DIMETHYL-, BROMIDE, (1.ALPHA.,2.BETA.,4.BETA.,5.ALPHA.,7.BETA.)-, COMPD. WITH METHANOL (1:1:1)

Systematic Name

English

3-OXA-9-AZONIATRICYCLO(3.3.1.02,4)NONANE, 7-((HYDROXYDI-2-THIENYLACETYL)OXY)-9,9-DIMETHYL-, BROMIDE, (1.ALPHA.,2.BETA.,4.BETA.,5.ALPHA.,7.BETA.)-, COMPD. WITH METHANOL (1:1)

Systematic Name

English

TIOTROPIUM BROMIDE METHANOL SOLVATE

Common Name

English

Code System Code Type Description

PUBCHEM

87219423

Created by admin on Sat Dec 16 10:24:48 UTC 2023 , Edited by admin on Sat Dec 16 10:24:48 UTC 2023

PRIMARY

FDA UNII

2292GX2183

Created by admin on Sat Dec 16 10:24:48 UTC 2023 , Edited by admin on Sat Dec 16 10:24:48 UTC 2023

PRIMARY

CAS

913719-58-1

Created by admin on Sat Dec 16 10:24:48 UTC 2023 , Edited by admin on Sat Dec 16 10:24:48 UTC 2023

PRIMARY

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