AG001LAU

14897-39-3 | 2,7-(Epoxypentadeca[1,11,13]trienimino)naphtho[2,1-b]furan-1,11(2H)-dione, 5,6,9,17,19,21-hexahydroxy-23-methoxy-2,4,12,16,18,20,22-heptamethyl-, 21-acetate, sodium salt

AG001LAU

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CAS Number	14897-39-3
Catalog Number	AG001LAU(AGN-PC-0Q2M0Q)
Chemical Name	2,7-(Epoxypentadeca[1,11,13]trienimino)naphtho[2,1-b]furan-1,11(2H)-dione, 5,6,9,17,19,21-hexahydroxy-23-methoxy-2,4,12,16,18,20,22-heptamethyl-, 21-acetate, sodium salt
EC Number	238-965-7
IUPAC Name	sodium;(7S,9E,11S,12R,13S,14R,15R,16R,17S,18S,19E,21Z)-13-acetyloxy-2,15,17,29-tetrahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-6,23-dioxo-8,30-dioxa-24-azatetracyclo[23.3.1.14,7.05,28]triaconta-1(29),2,4,9,19,21,25,27-octaen-27-olate
InChI	InChI=1S/C37H47NO12.Na/c1-16-11-10-12-17(2)36(46)38-23-15-24(40)26-27(32(23)44)31(43)21(6)34-28(26)35(45)37(8,50-34)48-14-13-25(47-9)18(3)33(49-22(7)39)20(5)30(42)19(4)29(16)41;/h10-16,18-20,25,29-30,33,40-44H,1-9H3,(H,38,46);/q;+1/p-1/b11-10+,14-13+,17-12-;/t16-,18+,19+,20+,25-,29-,30+,33+,37-;/m0./s1
InChI Key	YVOFSHPIJOYKSH-NLYBMVFSSA-M
MDL Number	MFCD09752825
Molecular Formula	C37H47NNaO12
Molecular Weight	720.7584
SMILES	C[C@@]([H])(/C([H])=C(/C([H])=C(C)\\C(O)=N\\1)[H])[C@@]([H])([C@@]([H])(C)[C@]([H])([C@@]([H])(C)[C@@]([H])([C@]([H])(C)[C@]([H])(/C([H])=C(O[C@]2(C)C(C3=C(C(C)=C(C4=C(C1=CC(O)=C43)O)O)O2)=O)\\[H])OC)OC(C)=O)O)O.[Na]
UNII	32086GS35Z
Synonyms	Sodium rifomycin SV, Monosodium rifamycin SV, Rifamycin, monosodium salt, NSC 133100, UNII-32086GS35Z, 32086GS35Z, Rifamycin SV sodium salt, Rifamycin SV sodium, DSSTox_CID_20208, DSSTox_RID_79452, DSSTox_GSID_40208, Rifamycin sodium [USAN], 14897-39-3, 2,7-(Epoxypentadeca(1,11,13)trienimino)naphtho(2,1-b)furan-1,11(2H)-dione, 5,6,9,17,19,21-hexahydroxy-23-methoxy-2,4,12,16,18,20,22-heptamethyl-, 21-acetate, sodium, CAS-14897-39-3, Rifamycin SV monosodium salt, 15105-92-7, RIFAMYCIN SODIUM, rifamycinsodium, C37H47NO12.Na, Rifamyzin-Natrium, Rifamycinum natricum, Rifamycin, sodium salt, rifamycin SV, monosodium salt, CB-01-11, Rifamycin SV, DTXSID0040208, Rifamycin, monosodium salt (9CI), EINECS 238-965-7, Tox21_112064, Tox21_202806, NCGC00260352-01, LS-64231, AB1009633, J-008536, Rifamycin SV sodium salt, potency: >=900 units (dry basis), 3,5-Di-tert-butyl-benzaldehyde; 3,5-Bis(tert-butyl)benzaldehyde, 2,7-(Epoxypentadeca(1,11,13)trienimino)naphtho(2,1-b)furan-1,11(2H)-dione, 5,6,9,17,19,21-hexahydroxy-23-methoxy-2,4,12,16,18,20,22-heptamethyl-, 21-acetate, monosodium salt, 2,7-(Epoxypentadeca(1,11,13)trienimino)naphtho(2,1-b)furan-1,11(2H)-dione, 5,6,9,17,19,21-hexahydroxy-23-methoxy-2,4,12,16,18,20,22-heptamethyl-, 21-acetate, monosodium salt (8CI), 2,7-(Epoxypentadeca(1,11,13)trienimino)naphtho(2,1-b)furan-1,11(2H)-dione,5,6,9,17,19,21-hexahydroxy-23-methoxy-2,4,12,16,18,20,22-heptamethyl-, 21-acetate, sodium, Rifocin, Rifamycin SV, RIFAMYCIN, Rifamycin sodium salt, C37-H47-N-O12.Na, NCGC00163674-01, 2,7-(Epoxypentadeca[1,11,13]trienimino)naphtho[2,1-b]furan, rifamycin deriv., 2,7-(Epoxypentadeca[1,11,13]trienimino)naphtho[2,1-b]furan-1,11(2H)-dione, 5,6,9,17,19,21-hexahydroxy-23-methoxy-2,4,12,16,18,20,22-heptamethyl-, 21-acetate, monosodium salt,

Complexity	1340
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	9
Defined Bond Stereocenter Count	3
Exact Mass	719.292g/mol
Formal Charge	0
Heavy Atom Count	51
Hydrogen Bond Acceptor Count	12
Hydrogen Bond Donor Count	5
Isotope Atom Count	0
Molecular Weight	719.76g/mol
Monoisotopic Mass	719.292g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	204A^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

Lot Number