AG00BGEQ

218791-21-0 | IMISOPASEM MANGANESE

AG00BGEQ

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CAS Number	218791-21-0
Catalog Number	AG00BGEQ(AGN-PC-0QYE0B)
Chemical Name	IMISOPASEM MANGANESE
IUPAC Name	manganese(2+);(4R,9R,14R,19R)-3,10,13,20,26-pentazatetracyclo[20.3.1.04,9.014,19]hexacosa-1(26),22,24-triene;dichloride
InChI	InChI=1S/C21H35N5.2ClH.Mn/c1-3-10-20-18(8-1)22-12-13-23-19-9-2-4-11-21(19)25-15-17-7-5-6-16(26-17)14-24-20;;;/h5-7,18-25H,1-4,8-15H2;2*1H;/q;;;+2/p-2/t18-,19-,20-,21-;;;/m1.../s1
InChI Key	WXEMWBBXVXHEPU-XNPJUPKFSA-L
MDL Number	MFCD09954128
Molecular Formula	C21H35Cl2MnN5
Molecular Weight	483.3801
SMILES	[Cl-][Mn+2]1234([Cl-])[N]=5C=6C[NH]1[C@]7([C@]([NH]2CC[NH]3[C@]8([C@]([NH]4CC5C=CC6)(CCCC8)[H])[H])(CCCC7)[H])[H]
UNII	2Q6R3259KS
Synonyms	imisopasem manganese, M 40403, M-40403, M40403, Imisopasem manganese, UNII-2Q6R3259KS, 2Q6R3259KS, M40403, 218791-21-0, SC-72325, Imisopasem manganese (USAN/INN), Imisopasem manganese [USAN:INN], MFCD09954128, AKOS030257562, D06607, M 40403, CID10195666, CID 10195666,

Complexity	381
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	4
Defined Atom Stereocenter Count	4
Defined Bond Stereocenter Count	0
Exact Mass	482.165g/mol
Formal Charge	0
Heavy Atom Count	29
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	4
Isotope Atom Count	0
Molecular Weight	483.384g/mol
Monoisotopic Mass	482.165g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	61A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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