AG004T4Q

856925-71-8 | (S)-(-)-Blebbistatin

AG004T4Q

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CAS Number	856925-71-8
Catalog Number	AG004T4Q(AGN-PC-0V1VPX)
Chemical Name	(S)-(-)-Blebbistatin
IUPAC Name	(3aS)-3a-hydroxy-6-methyl-1-phenyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-one
InChI	InChI=1S/C18H16N2O2/c1-12-7-8-15-14(11-12)16(21)18(22)9-10-20(17(18)19-15)13-5-3-2-4-6-13/h2-8,11,22H,9-10H2,1H3/t18-/m1/s1
InChI Key	LZAXPYOBKSJSEX-GOSISDBHSA-N
MDL Number	MFCD08460907
Molecular Formula	C18H16N2O2
Molecular Weight	292.3318
SMILES	Cc1ccc2c(c1)C(=O)[C@]1(C(=N2)N(CC1)c1ccccc1)O
UNII	8WII7624I5
Synonyms	(-)-Blebbistatin, 856925-71-8, (S)-(-)-Blebbistatin, (S)-blebbistatin, UNII-8WII7624I5, (−)-Blebbistatin, CHEBI:75388, 8WII7624I5, MFCD08460907, (-)-1-PHENYL-1,2,3,4-TETRAHYDRO-4-HYDROXYPYRROLO[2,3-B]-7-METHYLQUINOLIN-4-ONE, Blebbistatin, (-)-, (3aS)-3a-hydroxy-6-methyl-1-phenyl-1,2,3,3a-tetrahydro-4H-pyrrolo[2,3-b]quinolin-4-one, Blebbistatin (S)-form [MI], (-)Blebbistatin, (?)-Blebbistatin, AC1NRAB2, (-)-Blebbistatinsynthetic, SCHEMBL4330341, CHEMBL1231358, CTK8E7425, AOB6855, DTXSID70415329, EX-A703, (3aS)-3a-hydroxy-6-methyl-1-phenyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-one, (S)-3a-hydroxy-6-methyl-1-phenyl-3,3a-dihydro-1H-pyrrolo[2,3-b]quinolin-4(2H)-one, 1-Phenyl-1,2,3,4-tetrahydro-4-hydroxypyrrolo[2.3-b]-7-methylquinolin-4-one, HMS3648O21, HMS3653A05, BCP09979, KS-000019CY, ZINC2526884, (-)-Blebbistatin, solid, synthetic, 1003AH, 2107AH, s7099, AKOS024456817, CS-4983, DB01944, NCGC00092288-01, NCGC00092288-02, NCGC00092288-05, (3aS)-(-)-1,2,3,3a-Tetrahydro-3a-hydroxy-6-methyl-1-phenyl-4H-pyrrolo[2,3-b]quinolin-4-one, 4H-Pyrrolo(2,3-b)quinolin-4-one, 1,2,3,3a-tetrahydro-3a-hydroxy-6-methyl-1-phenyl-, (3aS)-, AK473983, BC260444, HY-13441, RT-011397, B6847, B6877, FT-0663412, SW219535-1, SR-01000946255, SR-01000946255-1, UNII-20WC4J7CQ6 component LZAXPYOBKSJSEX-GOSISDBHSA-N, (3as)-3a-hydroxy-6-methyl-1-phenyl-3,3a-dihydro-1h-pyrrolo[2,3-b]quinolin-4(2h)-one, (S)-BLEBBISTATIN, (3AS)-3A-HYDROXY-6-METHYL-1-PHENYL-3,3A-DIHYDRO-1H-PYRROLO[2,3-B]QUINOLIN-4(2H)-ONE, 4H-Pyrrolo[2,3-b]quinolin-4-one,1,2,3,3a-tetrahydro-3a-hydroxy-6-methyl-1-phenyl-, (3aS)-, Blebbistatin, -BLEBBISTATIN, (R)-(+)-Blebbistatin, C18H16N2O2, CID5287792, ( inverted exclamation markA)-Blebbistatin, A13647, BIT, 1177356-70-5, 674289-55-5,

Complexity	497
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	292.121g/mol
Formal Charge	0
Heavy Atom Count	22
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	292.338g/mol
Monoisotopic Mass	292.121g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	52.9A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number