AG001CJX

1405-20-5 | Polymyxin B, sulfate (salt)

AG001CJX

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CAS Number	1405-20-5
Catalog Number	AG001CJX(AGN-PC-0PPP1Q)
Chemical Name	Polymyxin B, sulfate (salt)
EC Number	215-774-7
IUPAC Name	N-[4-amino-1-[[1-[[4-amino-1-oxo-1-[[6,9,18-tris(2-aminoethyl)-15-benzyl-3-(1-hydroxyethyl)-12-(2-methylpropyl)-2,5,8,11,14,17,20-heptaoxo-1,4,7,10,13,16,19-heptazacyclotricos-21-yl]amino]butan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-1-oxobutan-2-yl]-6-methyloctanamide;sulfuric acid
InChI	InChI=1S/C56H98N16O13.H2O4S/c1-7-32(4)13-11-12-16-44(75)63-36(17-23-57)51(80)72-46(34(6)74)56(85)68-39(20-26-60)48(77)67-41-22-28-62-55(84)45(33(5)73)71-52(81)40(21-27-61)65-47(76)37(18-24-58)66-53(82)42(29-31(2)3)69-54(83)43(30-35-14-9-8-10-15-35)70-49(78)38(19-25-59)64-50(41)79;1-5(2,3)4/h8-10,14-15,31-34,36-43,45-46,73-74H,7,11-13,16-30,57-61H2,1-6H3,(H,62,84)(H,63,75)(H,64,79)(H,65,76)(H,66,82)(H,67,77)(H,68,85)(H,69,83)(H,70,78)(H,71,81)(H,72,80);(H2,1,2,3,4)
InChI Key	HFMDLUQUEXNBOP-UHFFFAOYSA-N
MDL Number	MFCD30489731
Molecular Formula	C56H100N16O17S
Molecular Weight	1301.5552
NSC Number	757278
SMILES	O=C(C(NC(C(CCN)NC(CCCCC(C)CC)=O)=O)C(C)O)NC(CCN)C(NC(CCNC(C(NC(C(NC(C(CCN)N1)=O)CCN)=O)C(O)C)=O)C(NC(CCN)C(NC(CC2=CC=CC=C2)C(NC(CC(C)C)C1=O)=O)=O)=O)=O.O=S(O)(O)=O
Synonyms	Aerosporin, Polymyxin B, Polymyxin B Sulfate, Polymyxin B sulfate, Aerosporin, Polymyxin B sulphate, 1405-20-5, Poly-RX, sufuric acid, MFCD00131991, Polymixin B sulfate salt, Polymyxin-B-sulphate, SR-05000002074, KS-1428, NCGC00094763-01, Polymixin B-sulfate, AC1NWAPL, Aerosporin;PMB;Poly-RX, SPECTRUM1500492, HMS502E14, HFMDLUQUEXNBOP-UHFFFAOYSA-N, HMS1920J04, HMS2092A07, Pharmakon1600-01500492, BCP12700, AN-946, CCG-39724, NSC757278, s1395, AKOS015895662, NSC-757278, C55H96N16O13.2H2SO4, NCGC00094763-02, I559, Polymixin B sulfate, Cell Culture Reagent, AB2000085, FT-0654126, Listeria monocytogenes Selective Supplement I, Aerosporin, PMB, Poly-RX , 1405-20-5, 1405-20-5, 4135-11-9 (free base), I06-1086, SR-05000002074-1, SR-05000002074-2, N-[3-amino-1-[[1-[[3-amino-1-[[6,9,18-tris(2-aminoethyl)-15-benzyl-3-(1-hydroxyethyl)-12-isobutyl-2,5,8,11,14,17,20-heptaketo-1,4,7,10,13,16,19-heptazacyclotricos-21-yl]carbamoyl]propyl]carbamoyl]-2-hydroxy-propyl]carbamoyl]propyl]-6-methyl-caprylamide, N-[3-amino-1-[[1-[[3-amino-1-[[6,9,18-tris(2-aminoethyl)-15-benzyl-3-(1-hydroxyethyl)-12-isobutyl-2,5,8,11,14,17,20-heptaoxo-1,4,7,10,13,16,19-heptazacyclotricos-21-yl]carbamoyl]propyl]carbamoyl]-2-hydroxy-propyl]carbamoyl]propyl]-6-methyl-octanamide; sul, N-[4-amino-1-[[1-[[4-amino-1-oxo-1-[[6,9,18-tris(2-aminoethyl)-15-benzyl-3-(1-hydroxyethyl)-12-(2-methylpropyl)-2,5,8,11,14,17,20-heptaoxo-1,4,7,10,13,16,19-heptazacyclotricos-21-yl]amino]butan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-1-oxobutan-2-yl]-6-methyloctanamide; sulfuric acid, polymyxin b, Polymixin B sulfate, Polymxin B sulfate, Polymyxin B, sulfate, Polymixin B sulphate, Polymyxin B, sulphate, PubChem20099, Polymyxin B sulfate salt, Polymyxin B, sulfate (salt), H2O4S.xW99, Polymyxin B, sulphate (salt), Polymyxin B sulfate [USP:JAN], Polymyxin B Sulfate [USAN:JAN], C43H82N16O12.xH2O4S, EINECS 215-774-7, UNII-19371312D4, ACN-040081, CID5702105, P1923, POLYMYXIN B SULFATE USP GRADE 100MU, C43-H82-N16-O12.x-H2-O4-S, Polymyxin B Sulphate (1 Million Units) 1vial, D011112, PMB, Polymyxin B sulfate, >6500 IU/mg, suitable for cell culture - 1G 1g, 1404-26-8, 4135-11-9,

Complexity	2240
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	1300.717g/mol
Formal Charge	0
Heavy Atom Count	90
Hydrogen Bond Acceptor Count	22
Hydrogen Bond Donor Count	20
Isotope Atom Count	0
Molecular Weight	1301.571g/mol
Monoisotopic Mass	1300.717g/mol
Rotatable Bond Count	29
Topological Polar Surface Area	574A^2
Undefined Atom Stereocenter Count	13
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	\N

Certificate of Analysis

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