Acetyl Methylene Blue - CAS 3763-06-2

Name: Acetyl Methylene Blue
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB061240
Product Name:	Acetyl Methylene Blue
CAS:	3763-06-2
Synonyms:	Acetylated Methylene Blue; 1-[3,7-Bis(dimethylamino)-10H-phenothiazin-10-yl]ethanone; 1-[3,7-Bis(dimethylamino)phenothiazin-10-yl]ethanone; 10-Acetyl-3,7-bis(dimethylamino)-phenothiazine; 10-Acetyl-N,N,N',N'-tetramethyl-10H-phenothiazine-3,7-diamine

Technical Data

IUPAC Name:	1-[3,7-bis(dimethylamino)phenothiazin-10-yl]ethanone
Description:	Acetyl Methylene Blue is an intermediate used in the synthesis of (Leucomethylene Blue Dihydrochloride (Technical Grade), which is the reduced form of methylene blue, and has been used to determine the efficacy in tau aggregation inhibitor therapy for Alzheimer's disease.
Molecular Weight:	327.44
Molecular Formula:	C18H21N3OS
Canonical SMILES:	CC(=O)N1C2=C(C=C(C=C2)N(C)C)SC3=C1C=CC(=C3)N(C)C
InChI:	InChI=1S/C18H21N3OS/c1-12(22)21-15-8-6-13(19(2)3)10-17(15)23-18-11-14(20(4)5)7-9-16(18)21/h6-11H,1-5H3
InChI Key:	JEOGFTYLESYHAM-UHFFFAOYSA-N
Solubility:	Chloroform
Appearance:	Green Powder
Storage:	20°C
References:	Baddeley, T. C.; et al. J. Pharmacol. Exp. Ther., 352, 110 (2015)..

GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

Publication Number	Title	Priority Date
EP-3795565-A1	Improved process for the purification of methylene blue	20190921
US-2022049102-A1	Process for the Purification of Methylene Blue	20190921
WO-2020250186-A1	Novel improved method for synthesizing diaminophenothiazine compounds	20190612
AU-2011358840-A1	Phenothiazine diaminium salts and their use	20110211
AU-2011358840-B2	Phenothiazine diaminium salts and their use	20110211
CA-2827027-A1	Phenothiazine diaminium salts and their use	20110211
CN-103649061-A	Pheno thiazine diaminium salts and their use	20110211
CN-103649061-B	Thiodiphenylamine diamine salts and its purposes	20110211
DK-2673266-T3	Phenothiazine DIAMINIUM SALTS AND USE THEREOF	20110211
EA-025033-B1	DIAMINIC PHENOTIAZINE SALTS AND THEIR APPLICATION	20110211

Complexity:	410
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	327.14053348
Formal Charge:	0
Heavy Atom Count:	23
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	327.14053348
Rotatable Bond Count:	2
Topological Polar Surface Area:	52.1Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.2