GLYCOPYRRONIUM TOSYLATE, THREO-

Details

Stereochemistry	RACEMIC
Molecular Formula	C19H28NO3.C7H8O3S.H2O
Molecular Weight	508.647
Optical Activity	( + / - )
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	1

SHOW SMILES / InChI

Structure of GLYCOPYRRONIUM TOSYLATE, THREO-

Structure Search

SMILES

O.CC1=CC=C(C=C1)S(O)(=O)=O.C[N+]2(C)CC[C@H](C2)OC(=O)[C@@](O)(C3CCCC3)C4=CC=CC=C4

InChI

InChIKey=UOWOLENSDISMPG-QFZUCXBQSA-N

InChI=1S/C19H28NO3.C7H8O3S.H2O/c1-20(2)13-12-17(14-20)23-18(21)19(22,16-10-6-7-11-16)15-8-4-3-5-9-15;1-6-2-4-7(5-3-6)11(8,9)10;/h3-5,8-9,16-17,22H,6-7,10-14H2,1-2H3;2-5H,1H3,(H,8,9,10);1H2/q+1;;/t17-,19+;;/m1../s1

HIDE SMILES / InChI

Molecular Formula	C7H8O3S
Molecular Weight	172.202
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	C19H28NO3
Molecular Weight	318.4305
Charge	1
Count

Stereochemistry	EPIMERIC
Additional Stereochemistry	No
Defined Stereocenters	2 / 2
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 11:36:15 GMT 2023` Edited by `admin` on `Sat Dec 16 11:36:15 GMT 2023`
Record UNII	X2N5209428
Record Status	`Validated (UNII)`
Record Version