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Details

Stereochemistry RACEMIC
Molecular Formula C7H17N2O2
Molecular Weight 161.2221
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 1

SHOW SMILES / InChI
Structure of BETHANECHOL

SMILES

CC(C[N+](C)(C)C)OC(N)=O

InChI

InChIKey=NZUPCNDJBJXXRF-UHFFFAOYSA-O
InChI=1S/C7H16N2O2/c1-6(11-7(8)10)5-9(2,3)4/h6H,5H2,1-4H3,(H-,8,10)/p+1

HIDE SMILES / InChI

Molecular Formula C7H17N2O2
Molecular Weight 161.2221
Charge 1
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry MIXED
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Record UNII
004F72P8F4
Record Status Validated (UNII)
Record Version