AG00HCG5

112901-68-5 | Ethanethiol, 2-[(3-aminopropyl)amino]-, dihydrogen phosphate (ester),trihydrate

AG00HCG5

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CAS Number	112901-68-5
Catalog Number	AG00HCG5(AGN-PC-0P44BP)
Chemical Name	Ethanethiol, 2-[(3-aminopropyl)amino]-, dihydrogen phosphate (ester),trihydrate
IUPAC Name	2-(3-aminopropylamino)ethylsulfanylphosphonic acid;trihydrate
InChI	InChI=1S/C5H15N2O3PS.3H2O/c6-2-1-3-7-4-5-12-11(8,9)10;;;/h7H,1-6H2,(H2,8,9,10);3*1H2
InChI Key	TXQPXJKRNHJWAX-UHFFFAOYSA-N
MDL Number	MFCD00453866
Molecular Formula	C5H21N2O6PS
Molecular Weight	268.2688
SMILES	O.O.O.P(SCCNCCCN)(O)(O)=O
UNII	M487QF2F4V
Synonyms	Amifostine, Amifostine Anhydrous, Amifostine Disodium Salt, Amifostine Monohydrate, Amifostine Monohydrochloride, Amifostine Trihydrate, Aminopropyl Aminoethylthiophosphate, Aminopropylaminoethylthiophosphate, Aminopropylaminoethylthiophosphoric Acid, APAETP, Ethanethiol, 2-((3-aminopropyl)amino)-, dihydrogen phosphate (ester), trihydrate, Ethiofos, Ethiofos Anhydrous, Ethyol, Gammaphos, NSC 296961, NSC-296961, NSC296961, S-(N-(3-Aminopropyl)-2-aminoethyl)thiophosphoric Acid, WR 2721, WR-2721, WR2721, YM 08310, YM-08310, YM08310, Amifostine trihydrate, 112901-68-5, 2-(3-aminopropylamino)ethylsulfanylphosphonic acid trihydrate, UNII-M487QF2F4V, C5H15N2O3PS.3H2O, M487QF2F4V, NSC 296961, S-(2-((3-Aminopropyl)amino)ethyl) dihydrogen phosphorothioate, trihydrate, Ethanethiol, 2-((3-aminopropyl)amino)-, dihydrogen phosphate (ester), trihydrate, Amifostine (USP), WR2721, WR-2721, Ethyol trihydrate, Amifostine [USAN:USP:INN:BAN], Anifostine trihydrate, AC1L3WIM, ETHYOL (TN), DTXSID40150210, TXQPXJKRNHJWAX-UHFFFAOYSA-N, KS-00000U5L, 2141AH, s4298, AKOS015901630, AC-6800, AN-9636, AK668338, BC218886, LS-172202, FT-0622271, Amifostine trihydrate, >=97% (TLC), powder, A14238, D00226, 901A685, J-002869, Amifostine, United States Pharmacopeia (USP) Reference Standard, Ethanethiol, 2-[(3-aminopropyl)amino]-, dihydrogen phosphate (ester),trihydrate, S-(2-((3-aminopropyl)amino)ethyl) O,O-dihydrogen phosphorothioate trihydrate, amifostine, Ethyol, Amifostine hydrate, Amifostine [USAN:INN:BAN], 112901-68-5 (trihydrate), WR 2721, CID148139, C5-H15-N2-O3-P-S.3H2-O, 2611H,

Complexity	152
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	4
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	268.086g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	9
Hydrogen Bond Donor Count	7
Isotope Atom Count	0
Molecular Weight	268.265g/mol
Monoisotopic Mass	268.086g/mol
Rotatable Bond Count	7
Topological Polar Surface Area	124A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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