AG00006J

100-33-4 | 4-{[5-(4-carbamimidoylphenoxy)pentyl]oxy}benzene-1-carboximidamide

AG00006J

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CAS Number	100-33-4
Catalog Number	AG00006J(AGN-PC-0JK6ZT)
Chemical Name	4-{[5-(4-carbamimidoylphenoxy)pentyl]oxy}benzene-1-carboximidamide
IUPAC Name	4-[5-(4-carbamimidoylphenoxy)pentoxy]benzenecarboximidamide
InChI	InChI=1S/C19H24N4O2/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/h4-11H,1-3,12-13H2,(H3,20,21)(H3,22,23)
InChI Key	XDRYMKDFEDOLFX-UHFFFAOYSA-N
MDL Number	MFCD00599574
Molecular Formula	C19H24N4O2
Molecular Weight	340.4195
NSC Number	9921
RTECS Number	CV6475000
SMILES	N=C(N)C1=CC=C(OCCCCCOC2=CC=C(C=C2)C(N)=N)C=C1
UN Number	1664
UNII	673LC5J4LQ
Synonyms	Diamidine, Lomidine, NebuPent, Pentacarinat, Pentam, Pentamidin, Pentamidine, Pentamidine Isethionate, Pentamidine Mesylate, pentamidine, 100-33-4, 4,4'-(Pentane-1,5-diylbis(oxy))dibenzimidamide, Pentamidin, Pentamidina, Pentamidinum, Pentacarinat, Pentamide, Pentamidine mesylate, 4,4'-Diamidinodiphenoxypentane, Pentamidina [DCIT], Pentam 300 (as isethionate), Nebupent (as isethionate), p,p'-(Pentamethylenedioxy)dibenzamidine, Pentamidinum [INN-Latin], Lomidine, Pentacarinat (as isethionate), Pentamidine [INN:BAN:DCF], 4,4'-(Pentamethylenedioxy)dibenzamidine, PENTAM, Pentamidine isetionate, UNII-673LC5J4LQ, Pneumopent, CCRIS 3825, 4, 4'-Diamidinodiphenoxypentane, 1,3-BIS(4-AMIDINOPHENOXY)PENTANE, p,p'-(Pentamethylene-dioxy)bis-benzamidine, C19H24N4O2, NSC 9921, EINECS 202-841-0, PNT, BRN 3159790, GNF-Pf-3680, 4,4'-(1,5-Pentanediylbis(oxy))bis-benzenecarboximidamide, 4,4'-[pentane-1,5-diylbis(oxy)]dibenzenecarboximidamide, 673LC5J4LQ, 4-[5-(4-Carbamimidoylphenoxy)pentoxy]benzenecarboximidamide, Benzenecarboximidamide, 4,4'-[1,5-pentanediylbis(oxy)]bis-, CHEBI:45081, NSC9921, XDRYMKDFEDOLFX-UHFFFAOYSA-N, 1,5-bis(4-amidinophenoxy)pentane, AK-51765, Benzenecarboximidamide, 4,4'-(1,5-pentanediylbis(oxy))bis-, 4-{[5-(4-carbamimidoylphenoxy)pentyl]oxy}benzene-1-carboximidamide, Benzamidine, 4,4'-(pentamethylenedioxy)di-, 4-[5-(4-carbamimidoylphenoxy)pentoxy]benzamidine, 4,4'-[1,5-Pentanediylbis(oxy)]bis-benzenecarboximidamide, Lomidine (TN), 4,4-(pentamethylenedioxy)dibenzamidine;4,4'-(Pentane-1,5-diylbis(oxy))dibenzimidamide;4-{[5-(4-carbamimidoylphenoxy)pentyl]oxy}benzene-1-carboximidamide, Pentamidine (INN), NSC620107, Nebupent (*Isethionate), Pentacarinat (*Isethionate), Pentam 300 (*Isethionate), RP 2512 (*Isethionate), HSDB 7474, Pentamidindiisetionat, MB 800, MB-800, 4,4'-(Pentamethylenedioxy)dibenzamide, RP-2512, PubChem20965, 4-[5-(4-carbamimidoylphenoxy)pentoxy]benzenecarboximidamide;2-hydroxyethanesulfonic acid, p,p'-(Pentamethylenedioxy)bis[benzamidine], AC1Q4YYD, CHEMBL55, Prestwick1_000553, Prestwick2_000553, Prestwick3_000553, Spectrum2_000155, Spectrum3_000276, Spectrum4_000380, Spectrum5_001808, 4,.omega.-diphenoxypentane, AC1L1IU8, SCHEMBL3329, BSPBio_000625, BSPBio_001752, KBioGR_000879, MB-800 [As Isethionate], 4-10-00-00447 (Beilstein Handbook Reference), MLS006011562, RP 2512 [as isethionate], RP-2512 [as isethionate], SPBio_000290, SPBio_002546, BPBio1_000689, cid_359323, Pentamidine Isethionate 2-Hydroxy-Ethanesulfonic Acid, WLN: MUYZR DO5OR DYZUM, DTXSID7023431, BDBM45440, CTK7D1910, KBio3_001252, HMS2089J14, MB 800 [AS ISETHIONATE], 1,5-bis(benzamidine-4-oxy)pentane, BCP10950, HY-B0537, KS-00000GW5, NSC-9921, ZINC1530775, ANW-48587, MFCD00599574, MMV000062, p'-(Pentamethylenedioxy)dibenzamidine, PR-118, AKOS015919681, ACN-036085, API0003783, CS-2634, DB00738, DS-1680, MCULE-8512828218, Benzamidine,4'-(pentamethylenedioxy)di-, NCGC00179034-01, NCGC00179034-02, NCGC00179034-03, NCGC00179034-04, NCGC00179034-08, AC-12459, AJ-26692, AN-10864, AN-14672, BR-51765, LS-27566, MP601205, NCI60_042221, SC-25837, SMR001549987, SBI-0051570.P002, AB0034352, AB1009458, AX8147088, ST2410862, TC-137332, 4CH-007617, AB00053572, FT-0673594, X8493, C07420, D08333, S-7548, AB00053572-18, AB00053572_19, AB00053572_20, 100P334, J-000106, BRD-K13183738-001-01-1, BRD-K13183738-317-06-0, 4,4 inverted exclamation mark -diamidinodiphenoxypentane, Benzenecarboximidamide,4'-[1,5-pentanediylbis(oxy)]bis-, 4,4 inverted exclamation mark -(pentamethylenedioxy)dibenzamidine, Benzenecarboximidamide, 4,4'-(1,5-pentanediylbis(oxy))bis- (9CI), p,p inverted exclamation mark -(pentamethylene-dioxy)bis-benzamidine, p,p inverted exclamation mark -(pentamethylenedioxy)dibenzamidine, 4,4 inverted exclamation mark -diamidino-alpha,omega-diphenoxypentane, 4-[5-(4-amidinophenoxy)pentoxy]benzamidine;2-hydroxyethanesulfonic acid, 4,4 inverted exclamation mark -(1,5-pentanediylbis(oxy))bis-benzenecarboximidamid, 4-[5-(4-carbamimidoylphenoxy)pentoxy]benzenecarboximidamide;2-oxidanylethanesulfonic acid, Nebupent, Diamidine, Lomodine, PENTAMIDINE ISETHIONATE, pentamidin-, Pentam 300, Pentamidine mesilate, Pentamidine diisethionate, D05EAM, Pentamidine dimethylsulfonate, UNII-863QBB4D0A, Pentamidine dimethanesulfonate, MLS000028738, Pentamidine [BAN:DCF:INN], CHEMBL494163, CID4735, C19H24N4O2.2CH4O3S, EINECS 229-898-4, C19-H24-N4-O2, SMR000059147, A8498, C19-H24-N4-O2.2C-H4-O3-S, 4,4'-Diamidino-.alpha.,.omega.-diphenoxypentane, D010419, 4,4'-(Pentamethylenedioxy)dibenzamidine dimethanesulfonate, Benzamidine, 4,4'-(pentamethylenedioxy)di-, dimethanesulfonate, Benzenecarboximidamide, 4,4'-(1,5-pentanediylbis(oxy))bis-(9CI), 4,4'-(1,5-Pentanediylbis(oxy))bisbenzenecarboximidamide dimethanesulfonate, 4,4'-[1,5-pentanediylbis(oxy)]bisbenzenecarboxamidine dimethylsulphonate, Benzenecarboximidamide, 4,4'-[1,5-pentanediylbis(oxy)]bis-, dimethanesulfonate, Benzenecarboximidamide, 4,4'-[1,5-pentanediylbis(oxy)]bis-,dimethanesulfonate, 140-64-7, 6823-79-6,

Complexity	376
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	340.19g/mol
Formal Charge	0
Heavy Atom Count	25
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	4
Isotope Atom Count	0
Molecular Weight	340.427g/mol
Monoisotopic Mass	340.19g/mol
Rotatable Bond Count	10
Topological Polar Surface Area	118A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.6

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