AG00ABJS

149003-01-0 | (S)-4,4'-(1-Methyl-1,2-ethanediyl)bis-2,6-piperazinedione hydrochloride

AG00ABJS

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CAS Number	149003-01-0
Catalog Number	AG00ABJS(AGN-PC-0Q2NSS)
Chemical Name	(S)-4,4'-(1-Methyl-1,2-ethanediyl)bis-2,6-piperazinedione hydrochloride
IUPAC Name	4-[(2S)-2-(3,5-dioxopiperazin-1-yl)propyl]piperazine-2,6-dione;hydrochloride
InChI	InChI=1S/C11H16N4O4.ClH/c1-7(15-5-10(18)13-11(19)6-15)2-14-3-8(16)12-9(17)4-14;/h7H,2-6H2,1H3,(H,12,16,17)(H,13,18,19);1H/t7-;/m0./s1
InChI Key	BIFMNMPSIYHKDN-FJXQXJEOSA-N
MDL Number	MFCD00912156
Molecular Formula	C11H17ClN4O4
Molecular Weight	304.7301
SMILES	O=C1CN([C@@H](C)CN2CC(NC(C2)=O)=O)CC(N1)=O.Cl
UNII	5346058Q7S
Synonyms	ADR 529, ADR-529, ADR529, Cardioxan, Cardioxane, Dexrazoxane, Dexrazoxane Hydrochloride, Hydrochloride, Dexrazoxane, ICRF 187, ICRF-187, ICRF187, NSC 169780, NSC-169780, NSC169780, Razoxane, (S)-Isomer, Razoxane, (S)-Isomer, Hydrochloride, Zinecard, Dexrazoxane hydrochloride, 149003-01-0, Totect, Cardioxane, Dexrazoxane HCl, Zinecard, Savene, Dexrazoxane (Hydrochloride), ICRF-187, UNII-5346058Q7S, ADR-529 hydrochloride, Dexrazoxane HCl (ICRF-187, ADR-529), 5346058Q7S, (S)-4,4'-(1-Methyl-1,2-ethanediyl)bis-2,6-piperazinedione hydrochloride, 4-[(2S)-2-(3,5-dioxopiperazin-1-yl)propyl]piperazine-2,6-dione hydrochloride, 1263283-43-7, (S)-4,4'-(propane-1,2-diyl)bis(piperazine-2,6-dione) hydrochloride, CHEBI:50224, ADR-529, ICRF 187 hydrochloride, TopoTect, 2,6-Piperazinedione, 4,4'-(1-methyl-1,2-ethanediyl)bis-, hydrochloride, (S)-, Dexrazoxane (TN), Zinecard (TN), Savene (TN), Totect (TN), Cardioxane hydrochloride, Dexrazoxane-Hydrochloride, AC1OCF6D, ICRF-187 hydrochloride, (+)-Razoxane hydrochloride, SCHEMBL18188, C11H16N4O4.HCl, Razoxane hydrochloride, (S)-, CHEMBL1200778, AOB6763, AOB6863, DTXSID60164152, Dexrazoxane hydrochloride [VANDF], Dexrazoxane hydrochloride [WHO-DD], KDX-0811, s1222, AKOS015900046, AC-9014, AN-7454, API0005176, Razoxane (+)-form hydrochloride [MI], Dexrazoxane hydrochloride [ORANGE BOOK], AS-16976, FT-0700082, SW220147-1, X5010, D07807, W-5214, 003D010, Dexrazoxane hydrochloride (ICRF-187, ADR-529), I14-10061, UNII-BR9T89F617 component BIFMNMPSIYHKDN-FJXQXJEOSA-N, 2,6-Piperazinedione, 4,4'-((1S)-1-methyl-1,2-ethanediyl)bis-, hydrochloride (1:1), Dexrazoxane, Cardioxan, SB 271046 HYDROCHLORIDE, CID6918223, NSC-169780, A10300, 209481-24-3,

Complexity	404
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	304.094g/mol
Formal Charge	0
Heavy Atom Count	20
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	304.731g/mol
Monoisotopic Mass	304.094g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	98.8A^2
Undefined Atom Stereocenter Count	0
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

Lot Number