AG00ABR5

Name: BMS 191095
Brand: Angene Chemical
SKU: AG00ABR5

166095-21-2 | BMS 191095

AG00ABR5

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CAS Number	166095-21-2
Catalog Number	AG00ABR5(AGN-PC-0Q8UK4)
Chemical Name	BMS 191095
IUPAC Name	(3R,4S)-4-[4-chloro-N-(1H-imidazol-2-ylmethyl)anilino]-3-hydroxy-2,2-dimethyl-3,4-dihydrochromene-6-carbonitrile
InChI	InChI=1S/C22H21ClN4O2/c1-22(2)21(28)20(17-11-14(12-24)3-8-18(17)29-22)27(13-19-25-9-10-26-19)16-6-4-15(23)5-7-16/h3-11,20-21,28H,13H2,1-2H3,(H,25,26)/t20-,21+/m0/s1
InChI Key	SMIKIPXIDLITMP-LEWJYISDSA-N
MDL Number	MFCD25977742
Molecular Formula	C22H21ClN4O2
Molecular Weight	408.8807
SMILES	C12=C(OC(C)(C)[C@H](O)[C@H]1N(CC1NC=CN=1)C1C=CC(Cl)=CC=1)C=CC(C#N)=C2
UNII	K6V527OYN8
Synonyms	BMS 191095, BMS-191095, BMS191095, BMS-191095, 166095-21-2, BMS 191095, UNII-K6V527OYN8, CHEMBL11594, K6V527OYN8, SCHEMBL8896325, ZINC3821976, BDBM50409914, AKOS030526638, CS-5470, HY-14256, D04JGA, SMIKIPXIDLITMP-LEWJYISDSA-N, BMS191095, BMS-199080, CID9822753, CID 9822753, C428117,

Complexity	615
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Exact Mass	408.135g/mol
Formal Charge	0
Heavy Atom Count	29
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	408.886g/mol
Monoisotopic Mass	408.135g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	85.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.3

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