AG008OQ3

74874-08-1 | (2R,4R)-Ethyl 1-(2-amino-5-(3-nitroguanidino)pentanoyl)-4-methylpiperidine-2-carboxylate hydrochloride

AG008OQ3

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CAS Number	74874-08-1
Catalog Number	AG008OQ3(AGN-PC-0U69B3)
Chemical Name	(2R,4R)-Ethyl 1-(2-amino-5-(3-nitroguanidino)pentanoyl)-4-methylpiperidine-2-carboxylate hydrochloride
IUPAC Name	ethyl (2R,4R)-1-[2-amino-5-[[amino(nitramido)methylidene]amino]pentanoyl]-4-methylpiperidine-2-carboxylate;hydrochloride
InChI	InChI=1S/C15H28N6O5.ClH/c1-3-26-14(23)12-9-10(2)6-8-20(12)13(22)11(16)5-4-7-18-15(17)19-21(24)25;/h10-12H,3-9,16H2,1-2H3,(H3,17,18,19);1H/t10-,11?,12-;/m1./s1
InChI Key	KYMBEZAOVMYAGM-ZZCQIGCDSA-N
MDL Number	MFCD11982553
Molecular Formula	C15H29ClN6O5
Molecular Weight	408.8810
SMILES	Cl.C(C)OC(=O)[C@@H]1N(CC[C@H](C1)C)C([C@H](CCCNC(N[N+](=O)[O-])=N)N)=O
Synonyms	74874-08-1, (2R,4R)-Ethyl 1-(2-amino-5-(3-nitroguanidino)pentanoyl)-4-methylpiperidine-2-carboxylate hydrochloride, ETHYL (2R,4R)-1-[2-AMINO-5-[[IMINO(NITROAMINO)METHYL]AMINO]-1-OXOPENTYL]-4-METHYL-2-PIPERIDINECARBOXYLATE HYDROCHLORIDE, ethyl (2R,4R)-4-methyl-1-(Nw-nitroarginyl)piperidine-2-carboxylate hydrochloride, CTK2H6931, KS-00000QNM, ANW-71239, AKOS016008022, DS-4237, RL04844, AX8238739, TC-159984, FT-0661863, (2R,4R)-Ethyl 1-(2-amino-5-(3-nitroguanidino)pentanoyl)-4-methylpiperidine-2-carboxylate hydrochlori, Ethyl (2R,4R)-1-(Nitroglycerine-nitro-L-arginyl)-4-methyl-piperidinecarboxylate hydrochloride, Argatroban intermediates C, KYMBEZAOVMYAGM-ZZCQIGCDSA-N, 1-[2-Amino-5-[[imino(nitroamino)methyl]amino]-1-oxopentyl]-4-methyl-piperidinecarboxylicAcidEthylEsterHydrochloride,

Complexity	535
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Exact Mass	408.189g/mol
Formal Charge	0
Heavy Atom Count	27
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	4
Isotope Atom Count	0
Molecular Weight	408.884g/mol
Monoisotopic Mass	408.189g/mol
Rotatable Bond Count	9
Topological Polar Surface Area	169A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0

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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