AG003OQH

104376-79-6 | Ceftriaxone disodium salt

AG003OQH

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CAS Number	104376-79-6
Catalog Number	AG003OQH(AGN-PC-0OTAE7)
Chemical Name	Ceftriaxone disodium salt
EC Number	277-405-6
IUPAC Name	sodium;(6R,7R)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-[(2-methyl-5,6-dioxo-1H-1,2,4-triazin-3-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
InChI	InChI=1S/C18H18N8O7S3.Na/c1-25-18(22-12(28)13(29)23-25)36-4-6-3-34-15-9(14(30)26(15)10(6)16(31)32)21-11(27)8(24-33-2)7-5-35-17(19)20-7;/h5,9,15H,3-4H2,1-2H3,(H2,19,20)(H,21,27)(H,23,29)(H,31,32);/q;+1/p-1/b24-8-;/t9-,15-;/m1./s1
InChI Key	YOBPSXOHCHDCMU-VKZZUTNHSA-M
MDL Number	MFCD01750405
Molecular Formula	C36H46N16Na4O21S6
Molecular Weight	1323.1941
SMILES	O=C(C(N12)=C(CSC(N(C)N=C3[O-])=NC3=O)CSC2C(NC(/C(C4=CSC(N)=N4)=N/OC)=O)C1=O)[O-].[H]O[H].[H]O[H].[H]O[H].[H]O[H].[H]O[H].[H]O[H].[H]O[H].O=C(C(N56)=C(CSC(N(C)N=C7[O-])=NC7=O)CSC6C(NC(/C(C8=CSC(N)=N8)=N/OC)=O)C5=O)[O-].[Na+].[Na+].[Na+].[Na+]
Synonyms	Anhydrous Ceftriaxone Sodium, Benaxona, Cefatriaxone, Cefaxona, Ceftrex, Ceftriaxon, Ceftriaxon Curamed, Ceftriaxon Hexal, Ceftriaxona Andreu, Ceftriaxona LDP Torlan, Ceftriaxone, Ceftriaxone Irex, Ceftriaxone Sodium, Ceftriaxone Sodium, Anhydrous, Ceftriaxone, Disodium Salt, Ceftriaxone, Disodium Salt, Hemiheptahydrate, Lendacin, Longacef, Longaceph, Ro 13 9904, Ro 13-9904, Ro 139904, Ro-13-9904, Ro13 9904, Ro13-9904, Ro139904, Rocefalin, Rocefin, Rocephin, Rocephine, Tacex, Terbac, CEFTRIAXONE SODIUM, Rocephin, ceftriaxone, Tartriakson, Ceftriaxone disodium, 104376-79-6, Ceftriaxone Sodium [USP], EINECS 277-930-0, Ro 13-9904/001, X 13-9904, OCTX, CEFTRIAXONE SODIUM TRIHYDRATE, 5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 7-(((2-amino-4-thiazolyl)(methoxyimino)acetyl)amino)-8-oxo-3-(((1,2,5,6-tetrahydro-2-methyl-5,6-dioxo-1,2,4-triazin-3-yl)thio)methyl)-, disodium salt, (6R-(6alpha,7beta(Z)))-, SCHEMBL537013, CHEMBL1200995, AKOS015961150, AC-1851, BC205730, LS-150032, I06-1763, I06-2130, sodium (6R,7R)-7-((E)-2-(2-aminothiazol-4-yl)-2-(methoxyimino)acetamido)-3-((6-hydroxy-2-methyl-5-oxo-2,5-dihydro-1,2,4-triazin-3-ylthio)methyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate, Lendacin, Longaceph, Biotrakson, Ceftriaxona, Ceftriaxonum, Ceftriaxone [INN:BAN], Ceftriaxone [USAN:JAN], Ceftriaxonum [INN-Latin], Ceftriaxona [INN-Spanish], UNII-023Z5BR09K, UNII-R598PB148Q, Ceftriaxone [USAN:INN:JAN], Ceftriaxone in plastic container, C18H18N8O7S3.2Na, C18H18N8O7S3, UNII-75J73V1629, DRG-0071, EINECS 277-405-6, Ceftriaxone sodium [USAN:USP:JAN], Ceftriaxone sodium, 97% - 1G 1g, Ro 13-9904, C18-H18-N8-O7-S3, CID9570832, Ro 139904, Ro-139904, C18-H18-N8-O7-S3.2Na, C18H18N8O7S3.7/2H2O.2Na, Ceftriaxone disodium salt hemiheptahydrate, Ceftriaxone and Dextrose in Duplex Container, ROCEPHIN W/ DEXTROSE IN PLASTIC CONTAINER, C18-H18-N8-O7-S3.7/2H2-O.2Na, 73384-59-5, 74578-69-1, (6R,7R)-7-(2-(2-Amino-4-thiazolyl)glyoxylamido)-8-oxo-3-(((1,2,5,6-tetrahydro-2-methyl-5,6-dioxo-as-triazin-3-yl)thio)methyl)-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 7(sup 2)-(Z)-(O-methyloxime), sesquaterhydrate, 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-[[(2-amino-4-thiazolyl)(methoxyimino)acetyl]amino]-8-oxo-3-[[(1,2,5,6-tetrahydro-2-methyl-5,6-dioxo-1,2,4-triazin-3-yl)thio]methyl]-, disodium salt, [6R-[6alpha,7beta(Z)]]-, 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-[[(2Z)-2-(2-amino-4-thiazolyl)-2-(methoxyimino)acetyl]amino]-8-oxo-3-[[(1,2,5,6-tetrahydro-2-methyl-5,6-dioxo-1,2,4-triazin-3-yl)thio]methyl]-, sodium salt, hydrate (2:4:7), (6R,7R)-,

Complexity	1120
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	1
Exact Mass	576.028g/mol
Formal Charge	0
Heavy Atom Count	37
Hydrogen Bond Acceptor Count	13
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	576.553g/mol
Monoisotopic Mass	576.028g/mol
Rotatable Bond Count	8
Topological Polar Surface Area	291A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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