AG006ZVB

140-64-7 | 4,4'-(Pentane-1,5-diylbis(oxy))dibenzimidamide bis(2-hydroxyethanesulfonate)

AG006ZVB

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CAS Number	140-64-7
Catalog Number	AG006ZVB(AGN-PC-0PPSJJ)
Chemical Name	4,4'-(Pentane-1,5-diylbis(oxy))dibenzimidamide bis(2-hydroxyethanesulfonate)
EC Number	205-424-1
IUPAC Name	4-[5-(4-carbamimidoylphenoxy)pentoxy]benzenecarboximidamide;2-hydroxyethanesulfonic acid
InChI	InChI=1S/C19H24N4O2.2C2H6O4S/c20-18(21)14-4-8-16(9-5-14)24-12-2-1-3-13-25-17-10-6-15(7-11-17)19(22)23;2*3-1-2-7(4,5)6/h4-11H,1-3,12-13H2,(H3,20,21)(H3,22,23);2*3H,1-2H2,(H,4,5,6)
InChI Key	YBVNFKZSMZGRAD-UHFFFAOYSA-N
MDL Number	MFCD00079213
Molecular Formula	C23H36N4O10S2
Molecular Weight	592.6827
SMILES	N=C(C1=CC=C(OCCCCCOC2=CC=C(C(N)=N)C=C2)C=C1)N.OCCS(=O)(O)=O.OCCS(=O)(O)=O
UNII	V2P3K60DA2
Synonyms	Diamidine, Lomidine, NebuPent, Pentacarinat, Pentam, Pentamidin, Pentamidine, Pentamidine Isethionate, Pentamidine Mesylate, PENTAMIDINE ISETHIONATE, 140-64-7, Pentamidine isethionate salt, Pentamidine diisethionate, 4,4'-(Pentane-1,5-diylbis(oxy))dibenzimidamide bis(2-hydroxyethanesulfonate), Pentamidine (isethionate), Pentacarinat, Pentamidine isetionate, UNII-V2P3K60DA2, Pneumopent, Lomidine, Pentaminide isetionate, PENTAM, Pentamidine isothionate, CHEBI:7977, V2P3K60DA2, 1,5-Bis(p-amidinophenoxy)pentane bis(2-hydroxyethanesulfonate salt), 4,4'-(Pentamethylenedioxy)dibenzamidine bis(2-hydroxyethanesulfonate), USAF XR-10, MFCD00079213, CCRIS 1660, 4,4'-Diamidino-alpha,omega-diphenoxypentane isethionate, NCGC00017022-05, CAS-140-64-7, 4,4'-Diamidinodiphenoxypentane di(beta-hydroxyethanesulfonate), EINECS 205-424-1, DSSTox_CID_3796, p,p'-(Pentamethylenedioxy)dibenzamidine bis(beta-hydroxyethanesulfonate), DSSTox_RID_77194, DSSTox_GSID_23796, Pentamidine diisetionate, W-108199, 2512 R.P., 4,4'-(pentane-1,5-diylbis(oxy))dibenzimidamide bis(2-hydroxyethane-1-sulfonate), 4,4'-(Pentane-1,5-diylbis(oxy))dibenzimidamide bis(2-hydroxyethanesulfonate);4,4'-(Pentane-1,5-diylbis(oxy))dibenzimidamide bis(2-hydroxyethanesulfonate), bis(2-hydroxyethane-1-sulfonic acid); 4-{[5-(4-carbamimidoylphenoxy)pentyl]oxy}benzene-1-carboximidamide, 4,4'-(Pentamethylenedioxy)-dibenzamidine bis(2-hydroxyethanesulfonate), SR-01000075174, Ethanesulfonic acid, 2-hydroxy-, compd. with 4,4'-(1,5-pentanediylbis(oxy))bis(benzenecarboximidamide) (2:1), 4,4'-[pentane-1,5-diylbis(oxy)]dibenzenecarboximidamide bis(2-hydroxyethanesulfonic acid), Prestwick_857, Pentamidine isethionate [USAN:USP], Pentamidin-Isethionat, pentamidine-isethionate, PubChem20964, 4-[5-(4-carbamimidoylphenoxy)pentoxy]benzenecarboximidamide;2-hydroxyethanesulfonic acid, Benzamidine, 4,4'-(pentamethylenedioxy)di-, bis(beta-hydroxyethanesulfonate), Pentam 300 (TN), AC1L1RR1, AC1Q6X9Y, 4,4'-diamidino-a,w-diphenoxypentane isethionate, SCHEMBL33615, Pentamidine isetionate (JAN), SPECTRUM1500641, CHEMBL361506, Pentamidine isethionate (USAN), DTXSID5023796, CTK8B5397, HMS501D11, HY-B0537B, HMS1569P07, HMS1921M19, HMS2096P07, HMS3713P07, C23H36N4O10S2, Pentamidine isethionate salt, 97%, KS-00000Z9I, Pentamidine isethionate salt, powder, Tox21_110742, Tox21_201722, Tox21_300312, ANW-48586, CCG-39715, AKOS015914189, Tox21_110742_1, API0003784, CS-4133, KS-5289, MCULE-6357662093, NCGC00017022-01, NCGC00017022-02, NCGC00017022-03, NCGC00017022-04, NCGC00091927-01, NCGC00091927-02, NCGC00091927-03, NCGC00091927-04, NCGC00179034-07, NCGC00254121-01, NCGC00259271-01, AK-51766, BC221820, BR-51766, M808, AB0015398, AX8027505, ST2407516, TC-137331, 4CH-018037, FT-0631814, P-155, ST51006692, D00834, S-3112, 140P647, 4,4'-(pentamethylenedioxy)dibenzamidine bis(2-hyd, C-23299, SR-01000075174-1, SR-01000075174-6, SR-01000075174-7, I14-45109, Z1558572531, 4,4'-(pentamethylenedioxy)dibenzamide bis(2-hydroxyethanesulfonate), 1,5-Bis(p-amidinophenoxy)pentane bis(2-hydroxyethanesulfonate salt)., 4,4'-(Pentamethylenedioxy)dibenzamidine bis-2-hydroxyethanesulfonate salt, 4,4'-(pentamethylenedioxy)dibenzamidine, bis-2-hydroxyethanesulfonate, Pentamidine diisetionate, European Pharmacopoeia (EP) Reference Standard, Pentamidine isethionate, United States Pharmacopeia (USP) Reference Standard, 1,5-bis[p-amidinophenoxy]pentane bis[2-hydroxyethanesulfonate salt] isethionate salt, 4,4'-[pentane-1,5-diylbis(oxy)]dibenzenecarboximidamide bis(2-hydroxyethylsulfonate), [pentane-1,5-diylbis(oxy-4,1-phenylene)]bis(aminomethaniminium) bis(2-hydroxyethanesulfonate), 4,4 inverted exclamation marka-(Pentamethylenedioxy)dibenzamidine bis(2-hydroxyethanesulfonate), 4-[5-(4-amidinophenoxy)pentyloxy]benzenecarboxamidine, 2-hydroxyethanesulfonic acid, 2-hydroxyethanesulfonic acid, Diamidine, Nebupent, Lomidin, Lomidine isoethionate, Pentam 300, Pentamidine isethionate [USAN], CID8813, DRG-0025, RP 2512, WR 4931, AR-1F7819, C19H24N4O2.2C2H6O4S, M & B 800, R.P. 2512, B4980, C19-H24-N4-O2.2C2-H6-O4-S, 4-[5-(4-carbamimidoylphenoxy)pentoxy]benzenecarboximidamide; 2-hydroxyethanesulfonic acid, 14230-00-3, Ethanesulfonic acid, 2-hydroxy-, compd. with 4,4'-[1,5-pentanediylbis( oxy)]bis[benzenecarboximidamide] (2:1), Ethanesulfonic acid, 2-hydroxy-, compd. with 4,4'-[1,5-pentanediylbis(oxy)]bis[benzenecarboximidamide] (2:1),

Complexity	493
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	3
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	592.187g/mol
Formal Charge	0
Heavy Atom Count	39
Hydrogen Bond Acceptor Count	12
Hydrogen Bond Donor Count	8
Isotope Atom Count	0
Molecular Weight	592.679g/mol
Monoisotopic Mass	592.187g/mol
Rotatable Bond Count	14
Topological Polar Surface Area	284A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H317-H319-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number