AG01EOOE

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CAS Number	290814-68-5
Catalog Number	AG01EOOE(AGN-PC-0R4TII)
Chemical Name	PBOX 6
IUPAC Name	(6-naphthalen-1-ylpyrrolo[2,1-d][1,5]benzoxazepin-7-yl) N,N-dimethylcarbamate
InChI	InChI=1S/C25H20N2O3/c1-26(2)25(28)30-24-21-14-8-16-27(21)20-13-5-6-15-22(20)29-23(24)19-12-7-10-17-9-3-4-11-18(17)19/h3-16H,1-2H3
InChI Key	SOIZAFVNIXAZFQ-UHFFFAOYSA-N
MDL Number	MFCD31382391
Molecular Formula	C25H20N2O3
Molecular Weight	396.4379
SMILES	CN(C(OC=1C=2N(C3=C(OC1C1=CC=CC4=CC=CC=C14)C=CC=C3)C=CC2)=O)C
UNII	IN93MQ497D
Synonyms	PBOX-6, pyrrolo-1,5-benzoxazepine-6, PBOX 6, PBOX-6, UNII-IN93MQ497D, IN93MQ497D, 290814-68-5, Carbamic acid, N,N-dimethyl-, 6-(1-naphthalenyl)pyrrolo(2,1-d)(1,5)benzoxazepin-7-yl ester, SCHEMBL5322209, HY-U00446, PBOX-6, >=98% (HPLC), Carbamic acid, dimethyl-, 6-(1-naphthalenyl)pyrrolo(2,1-d)(1,5)benzoxazepin-7-yl ester, CS-0035400, 7-[(N,N-dimethylcarbamoyl)oxy]-6-(naphth-1-yl)pyrrolo[2,1-d][1,5]benzoxazepine, pyrrolo-1,5-benzoxazepine-6, CID9865511, CID 9865511, C418868,

Complexity	675
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	396.147g/mol
Formal Charge	0
Heavy Atom Count	30
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	396.446g/mol
Monoisotopic Mass	396.147g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	43.7A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	4.8

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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