AG00AE1O

Name: (S)-IsotiMolol (TiMolol IMpurity B)
Brand: Angene Chemical
SKU: AG00AE1O

158636-96-5 | (S)-IsotiMolol (TiMolol IMpurity B)

AG00AE1O

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CAS Number	158636-96-5
Catalog Number	AG00AE1O(AGN-PC-0WBMZ0)
Chemical Name	(S)-IsotiMolol (TiMolol IMpurity B)
IUPAC Name	(2S)-3-(tert-butylamino)-2-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-1-ol
InChI	InChI=1S/C13H24N4O3S/c1-13(2,3)14-8-10(9-18)20-12-11(15-21-16-12)17-4-6-19-7-5-17/h10,14,18H,4-9H2,1-3H3/t10-/m0/s1
InChI Key	MAMSPDKEMJALRZ-JTQLQIEISA-N
MDL Number	MFCD21363887
Molecular Formula	C13H24N4O3S
Molecular Weight	316.4197
SMILES	CC(C)(C)NC[C@@H](CO)Oc1nsnc1N2CCOCC2
Synonyms	(S)-Isotimolol, ZINC77301546, 158636-96-5, UNII-66OA8AMH50 component MAMSPDKEMJALRZ-JTQLQIEISA-N, (2S)-3-(tert-butylamino)-2-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-1-ol,

Complexity	310
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	316.157g/mol
Formal Charge	0
Heavy Atom Count	21
Hydrogen Bond Acceptor Count	8
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	316.42g/mol
Monoisotopic Mass	316.157g/mol
Rotatable Bond Count	7
Topological Polar Surface Area	108A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.8

CERTIFICATE OF ANALYSIS

Analysis Data:

Test:

Result:

Conclusion: The above product meets the specifications of Angene.

Analyst:Chase

Date:

Reviewed by:Jessie

Date:

Angene International Limited