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Rifamycin sodium salt

CAT: 0607-C6498-25Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0607-C6498-25Size:25 mg
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CAS Number
14897-39-3
Purity
0.9828
Solubility
insoluble in H2O; ≥128.5 mg/mL in DMSO; ≥41.2 mg/mL in EtOH
Smiles
[O-]C1=CC(N2)=C(O)C3=C1C4=C(O[C@@](O/C=C/[C@H](OC)[C@@H](C)[C@@H](C(OC)=O)[C@H](C)[C@H](O)[C@H](C)[C@@H](O)[C@@H](C)/C=C/C=C(C)\C2=O)(C)C4=O)C(C)=C3O.[Na+]
Molecular Formula
C37H46NNaO12
Molecular Weight
719.75
Shipping Conditions
Blue ice
Storage Conditions
Store at -20°C.

Chemical Information

Rifamycin Sodium

Rifamycin Sodium is a sodium salt of rifamycin, an antibiotic produced by Streptomyces mediterranei which is used to treat mycobacterium infections.

CAS Number14897-39-3
PubChem CID23702994
IUPAC Namesodium (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
Molecular FormulaC37H46NNaO12
Molecular Weight719.7
Topological Polar Surface Area204
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count12
Rotatable Bond Count3
Heavy Atom Count51
Formal Charge0
Complexity1340
SMILES
C[C@H]1/C=C/C=C(\C(=O)NC2=CC(=C3C(=C2O)C(=C(C4=C3C(=O)[C@](O4)(O/C=C/[C@@H]([C@H]([C@H]([C@@H]([C@@H]([C@@H]([C@H]1O)C)O)C)OC(=O)C)C)OC)C)C)O)[O-])/C.[Na+]
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
InChIKey
YVOFSHPIJOYKSH-NLYBMVFSSA-M
Chemical Structure
2D Structure
2D structure of Rifamycin Sodium
CAS: 14897-39-3
CID: 23702994
Formula: C37H46NNaO12
MW: 719.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight719.7
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count12
Rotatable Bond Count3
Exact Mass719.29177018
Monoisotopic Mass719.29177018
Topological Polar Surface Area204 Ų
Heavy Atom Count51
Formal Charge0
Complexity1340
Isotope Atom Count0
Defined Atom Stereocenter Count9
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count3
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
M19784-01Rifamycin sodium salt
RM-R090600-01Rifaximin EP Impurity C Sodium Salt (Rifamycin Sv Sodium Salt)
T5003-01Rifamycin sodium
HY-B1907-01Rifamycin (sodium)
TRC-R508200-100MGRifamycin SV Sodium
HY-B1907R-01Rifamycin (sodium) (Standard)
sc-205839ARifamycin SV monosodium salt
BR300118Rifamycin SV sodium - Bio-X TM
MBS6080862-01Neridronate, Sodium Salt (Nerixia Sodium Salt)
GTR19201847-01Rifamycin

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