AG00AOT3

1476-53-5 | Novobiocin Sodium Salt

AG00AOT3

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CAS Number	1476-53-5
Catalog Number	AG00AOT3(AGN-PC-0Q0P14)
Chemical Name	Novobiocin Sodium Salt
EC Number	216-023-6
IUPAC Name	sodium;4-[[7-(4-carbamoyloxy-3-hydroxy-5-methoxy-6,6-dimethyloxan-2-yl)oxy-4-hydroxy-8-methyl-2-oxochromen-3-yl]carbamoyl]-2-(3-methylbut-2-enyl)phenolate
InChI	InChI=1S/C31H36N2O11.Na/c1-14(2)7-8-16-13-17(9-11-19(16)34)27(37)33-21-22(35)18-10-12-20(15(3)24(18)42-28(21)38)41-29-23(36)25(43-30(32)39)26(40-6)31(4,5)44-29;/h7,9-13,23,25-26,29,34-36H,8H2,1-6H3,(H2,32,39)(H,33,37);/q;+1/p-1
InChI Key	WWPRGAYLRGSOSU-UHFFFAOYSA-M
MDL Number	MFCD30207859
Molecular Formula	C31H35N2NaO11
Molecular Weight	634.6062
SMILES	CO[C@@H]1[C@H]([C@H]([C@H](OC2=CC=C3C(OC(C(NC(C4=CC=C(O)C(C/C=C(C)C)=C4)=O)=C3[O-])=O)=C2C)OC(C)1C)O)OC(N)=O.[Na+]
Synonyms	Calcium, Novobiocin, Crystallinic Acid, Monosodium Salt Novobiocin, Novobiocin, Novobiocin Calcium, Novobiocin Sodium, Novobiocin, Monosodium Salt, Sodium, Novobiocin, Streptonivicin, NOVOBIOCIN SODIUM, Cathomycin sodium, 1476-53-5, Novobiocin sodium salt, CHEMBL2079809, HMS3374H11, HMS3656A08, MCULE-6200351849, VA11981, AK163556, SC-20129, Z1583387385, 1021496-62-7, 7-[(4-Carbamoyloxy-3-hydroxy-6,6-dimethyl-5-methoxytetrahydro-2H-pyran-2-yl)oxy]-3-[4-sodiooxy-3-(3-methyl-2-butenyl)phenylcarbonylamino]-4-hydroxy-8-methylcoumarin, Benzamide,N-[7-[[3-O-(aminocarbonyl)-6-deoxy-5-C-methyl-4-O-methyl-a-L-lyxo-hexopyranosyl]oxy]-4-hydroxy-8-methyl-2-oxo-2H-1-benzopyran-3-yl]-4-hydroxy-3-(3-methyl-2-buten-1-yl)-,sodium salt (1:1), potassium 4-[(7-{[4-(carbamoyloxy)-3-hydroxy-5-methoxy-6,6-dimethyloxan-2-yl]oxy}-4-hydroxy-8-methyl-2-oxochromen-3-yl)carbamoyl]-2-(3-methylbut-2-en-1-yl)benzenolate, sodium 4-[(7-{[4-(carbamoyloxy)-3-hydroxy-5-methoxy-6,6-dimethyloxan-2-yl]oxy}-4-hydroxy-8-methyl-2-oxo-2H-chromen-3-yl)carbamoyl]-2-(3-methylbut-2-en-1-yl)benzen-1-olate, Albamycin, novobiocin, Cathomycin, Vulcamycin, Inabiocin, Albadry, Drygard/Biodry, Sodium albamycin, Sodium novobiocin, Novobiocin natrium, Albamycin Capsules, Novobiocina Bomaca, Albamycin (capsule), Monosodium novobiocin, Novobiocin monosodium, Cardelmycin sodium salt, PA 93 Na salt, Novobiocin sodium [USP], UNII-Q9S9NQ5YIY, Streptonivicin sodium salt, Novobiocin, sodium deriv., Novobiocin sodium [USAN], Novobiocin, monosodium salt, Novobiocin sodium salt (VAN), C31H35N2NaO11, component of Albamycin Capsules, NSC 2382, EINECS 216-023-6, C31-H35-N2-O11.Na, Antibiotic from Streptomyces spheroides, U 6591, U-6591, Benzamide, N-[7-[[3-O-(aminocarbonyl)-6-deoxy-5-C-methyl-4-O-methyl-.alpha.-L-lyxo-hexopyranosyl]oxy]-4-hydroxy-8-methyl-2-oxo-2H-1-benzopyran-3-yl]-4-hydroxy-3-(3-methyl-2-butenyl)-, monosodium salt, Benzamide, N-[7-[[3-O-(aminocarbonyl)-6-deoxy-5-C-methyl-4-O-methyl-.beta.-L-lyxo-hexopyranosyl]oxy]-4-hydroxy-8-methyl-2-oxo-2H-1-benzopyran-3-yl]-4-hydroxy-3-(3-methyl-2-butenyl)-, monosodium salt,

Complexity	1160
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	634.214g/mol
Formal Charge	0
Heavy Atom Count	45
Hydrogen Bond Acceptor Count	11
Hydrogen Bond Donor Count	4
Isotope Atom Count	0
Molecular Weight	634.614g/mol
Monoisotopic Mass	634.214g/mol
Rotatable Bond Count	9
Topological Polar Surface Area	199A^2
Undefined Atom Stereocenter Count	4
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H317
Packing Group
Precautionary statements	P280
UN Code

Certificate of Analysis

Lot Number