AG000MV8

1249-97-4 | Methanone, [3,7-bis(dimethylamino)-10H-phenothiazin-10-yl]phenyl-

AG000MV8

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CAS Number	1249-97-4
Catalog Number	AG000MV8(AGN-PC-0JM104)
Chemical Name	Methanone, [3,7-bis(dimethylamino)-10H-phenothiazin-10-yl]phenyl-
EC Number	215-005-5
IUPAC Name	[3,7-bis(dimethylamino)phenothiazin-10-yl]-phenylmethanone
InChI	InChI=1S/C23H23N3OS/c1-24(2)17-10-12-19-21(14-17)28-22-15-18(25(3)4)11-13-20(22)26(19)23(27)16-8-6-5-7-9-16/h5-15H,1-4H3
InChI Key	ZKURGBYDCVNWKH-UHFFFAOYSA-N
MDL Number	MFCD00059153
Molecular Formula	C23H23N3OS
Molecular Weight	389.5132
NSC Number	11881
SMILES	CN(C)C1=CC2=C(C=C1)N(C(=O)C1=CC=CC=C1)C1=CC=C(C=C1S2)N(C)C
Synonyms	Benzoyl leuco methylene blue, 1249-97-4, Benzoylleukomethylene blue, Methylene blue leucobenzoyl, N-Benzoylleucomethylene Blue, 10H-Phenothiazine-3,7-diamine, 10-benzoyl-N,N,N',N'-tetramethyl-, 10-Benzoyl-3,7-bis(dimethylamino)phenothiazine, 3,7-Bis(dimethylamino)-10-benzoylphenothiazine, EINECS 215-005-5, NSC 11881, Phenothiazine, 10-benzoyl-3,7-bis(dimethylamino)-, AI3-17179, MLS000737962, GNF-PF-4992, ZKURGBYDCVNWKH-UHFFFAOYSA-N, NSC11881, Methanone, (3,7-bis(dimethylamino)-10H-phenothiazin-10-yl)phenyl-, Methanone, [3,7-bis(dimethylamino)-10H-phenothiazin-10-yl]phenyl-, benzoyl leucomethylene blue, AC1L3TB0, N-benzoylleuco methylene blue, SCHEMBL388483, CHEMBL275177, DTXSID3061639, ZINC4347718, Phenothiazine,7-bis(dimethylamino)-, CCG-41402, MFCD00059153, NSC-11881, MCULE-7540580869, NCGC00246723-01, SMR000528108, LS-105249, B0207, FT-0760404, C-46431, SR-01000631485-1, 10-Benzoyl-3,7-bis(dimethylamino)-10H-phenothiazine, [3,7-bis(dimethylamino)phenothiazin-10-yl]-phenylmethanone, 10H-Phenothiazine-3, 10-benzoyl-N,N,N',N'-tetramethyl-, [3,7-bis(dimethylamino)phenothiazin-10-yl]-phenyl-methanone, (3,7-bis(dimethylamino)-10H-phenothiazin-10-yl)(phenyl)methanone, Benzoylleucomethyleneblue, C23H23N3OS, CID94975, C23-H23-N3-O-S, PHENOTHIAZINE[10H]-3,7-DIAMINE, 10-BENZOYL- N,N,N',N'-TETRAMETHYL-,

Complexity	516
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	389.156g/mol
Formal Charge	0
Heavy Atom Count	28
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	389.517g/mol
Monoisotopic Mass	389.156g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	52.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	4.9

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

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