AG01E2LQ

Name: I-CBP112HydrochlorideSalt
Brand: Angene Chemical
SKU: AG01E2LQ

2147701-33-3 | I-CBP112HydrochlorideSalt

AG01E2LQ

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CAS Number	2147701-33-3
Catalog Number	AG01E2LQ
Chemical Name	I-CBP112HydrochlorideSalt
IUPAC Name	1-[7-(3,4-dimethoxyphenyl)-9-[[(3S)-1-methylpiperidin-3-yl]methoxy]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]propan-1-one;hydrochloride
InChI	InChI=1S/C27H36N2O5.ClH/c1-5-26(30)29-11-12-33-27-22(17-29)13-21(20-8-9-23(31-3)24(14-20)32-4)15-25(27)34-18-19-7-6-10-28(2)16-19;/h8-9,13-15,19H,5-7,10-12,16-18H2,1-4H3;1H/t19-;/m0./s1
InChI Key	NZYYXGVOYOZTHZ-FYZYNONXSA-N
MDL Number	MFCD12756074
Molecular Formula	C27H37ClN2O5
Molecular Weight	505.0461
SMILES	COC1=C(OC)C=C(C2=CC(OC[C@H]3CCCN(C)C3)=C(OCCN(C(CC)=O)C4)C4=C2)C=C1.Cl
Synonyms	2147701-33-3, I-CBP112 hydrochloride, I-CBP112HydrochlorideSalt,

Complexity	649
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	504.239g/mol
Formal Charge	0
Heavy Atom Count	35
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	505.052g/mol
Monoisotopic Mass	504.239g/mol
Rotatable Bond Count	7
Topological Polar Surface Area	60.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

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