Rifamycin Sodium

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

CAS No.: 14897-39-3

Molecular Weight：697.76858

Modify Date.: 2023-02-20 06:51

Introduction: Semi-synthetic antibiotic derived from Rifamycin S. Antibacterial. Potency >900 units (dry basis). Rifamycin Sodium Preparation Products And Raw materials Raw materials View more+

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1. Names and Identifiers

1.1 Name: Rifamycin Sodium
1.2 Synonyms: (7S,11S,12R,13S,14R,15R,16R,17S,18S,21Z)-2,15,17,23,27,29-Hexahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-6-oxo-8,30-dioxa-24-azatetracyclo[23.3.1.14,7.05,28]triaconta-1(28),2,4,9,19,21,23,2 2,7-(Epoxy[1,11,13]pentadecatrien[1]yl[15]ylidenenitrilo)naphtho[2,1-b]furan-1(2H)-one, 21-(acetyloxy)-5,6,9,11,17,19-hexahydroxy-23-methoxy-2,4,12,16,18,20,22-heptamethyl-, sodium salt, (2S,10E,12Z,1 4Z,16S,17S,18R,19R,20R,21S,22R,23S,24Z)- (1:1) 2,7-(Epoxy[1,11,13]pentadecatrien[1]yl[15]ylidenenitrilo)naphtho[2,1-b]furan-1(2H)-one, 21-(acetyloxy)-5,6,9,11,17,19-hexahydroxy-23-methoxy-2,4,12,16,18,20,22-heptamethyl-, sodium salt, (2S,12Z,16S,1 7S,18R,19R,20R,21S,22R,23S)- (1:1) 2,7-(Epoxy[1,11,13]pentadecatrienoimino)naphtho[2,1-b]furan-1,11(2H)-dione, 21-(acetyloxy)-5,6,9,17,19-pentahydroxy-23-methoxy-2,4,12,16,18,20,22-heptamethyl-, sodium salt, (2S,12Z,14E,16S,17S,18R,19R,20R,21S,22R,23S,24E)- (1:1) 2,7-(Epoxy[1,11,13]pentadecatrienoimino)naphtho[2,1-b]furan-21-carboxylic acid, 1,2-dihydro-5,6,9,17,19-pentahydroxy-23-methoxy-2,4,12,16,18,20,22-heptamethyl-1,11-dioxo-, methyl ester, sodium salt, ( 2S,12E,14E,16R,17R,18R,19R,20R,21R,22R,23R,24E)- (1:1) 238-965-7 5(29),26-nonaen-13-yl acetate - sodium (1:1) 5,6,9,17,19,21-Hexahydroxy-23-Methoxy-2,4,12,16,18,20,22-heptaMethyl 8]triaconta-1(29),2,4,9,19,21,25,27-octaen-27-olate EINECS 238-965-7 MFCD00056847 monosodium rifamycin SV onta-1(28),2,4,9,19,21,23,25(29),26-nonaen-27-olate RIFAMPICIN SV SODIUM Rifamycin sodium salt Rifamycin SV hexahydrate sodium salt Rifamycin SV Monosodium RifaMycin SV MonosodiuM salt Rifamycin SV s RIFAMYCIN SV SODIUM SALT RIFAMYCIN SV SODIUM SALT HEXAHYDRATE Rifamycin SV sodium, >=900 IU/mg RIFAMYCIN SV-SODIUM RifaMycin, sodiuM salt (1:1) RIFAMYCIN,MONOSODIUMSALT Sodium (7S,9E,11R,12R,13R,14R,15R,16R,17R,18R,19E,21E)-2,15,17,29-tetrahydroxy-11-methoxy-13-(methoxycarbonyl)-3,7,12,14,16,18,22-heptamethyl-6,23-dioxo-8,30-dioxa-24-azatetracyclo[23.3.1.14,7.05,2 Sodium (7S,9E,11S,12R,13S,14R,15R,16R,17S,18S,19E,21Z)-13-acetoxy-2,15,17,29-tetrahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-6,23-dioxo-8,30-dioxa-24-azatetracyclo[23.3.1.1.0]triacon ta-1(28),2,4,9,19,21,25(29),26-octaen-27-olate Sodium (7S,9Z,11S,12R,13S,14R,15R,16R,17S,18S,19Z,21Z,23E)-13-acetoxy-2,15,17,23,29-pentahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-6-oxo-8,30-dioxa-24-azatetracyclo[23.3.1.14,7.05,28]triac

1.3 CAS No.: 14897-39-3

1.4 CID: 23702994

1.5 EINECS(EC#): 238-965-7

1.6 Molecular Formula: C37H46NNaO12 (isomer)

1.7 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

1.8 InChkey: YVOFSHPIJOYKSH-NLYBMVFSSA-M

1.9 Canonical Smiles: CC1C=CC=C(C(=O)NC2=CC(=C3C(=C2O)C(=C(C4=C3C(=O)C(O4)(OC=CC(C(C(C(C(C(C1O)C)O)C)OC(=O)C)C)OC)C)C)O)[O-])C.[Na+]

1.10 Isomers 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+]

2. Properties

2.1 Density: 1.35

2.1 Melting point: >215°C (dec.)

2.1 Boiling point: 862.1°Cat760mmHg

2.1 Flash Point: 475.2°C

2.1 Precise Quality: 719.29200

2.1 PSA: 204.14000

2.1 logP: 5.18780

2.1 Solubility: ethanol: soluble50mg/mL

2.2 Appearance: COA

2.3 Storage: -20°C Freezer

2.4 Chemical Properties: Dark Red Solid

2.5 Water Solubility: ethanol: soluble50mg/mL | Soluble in water, alcohol and dimethyl sulfoxide.

2.6 StorageTemp: Keep in dark place,Inert atmosphere,Room temperature

3. Use and Manufacturing

3.1 Usage: Semi-synthetic antibiotic derived from Rifamycin S. Antibacterial. Potency >900 units (dry basis). Rifamycin Sodium Preparation Products And Raw materials Raw materials

4. Safety and Handling

4.1 Hazard Codes: F

4.1 Risk Statements: S22-S24/25

4.1 Safety Statements: S22;S24/25

4.1 RIDADR: NONH for all modes of transport

4.1 WGK Germany: 3

4.1 RTECS: KD1922500

5. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Eye irritation, Category 2

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word	Warning
Hazard statement(s)	H319 Causes serious eye irritation
Precautionary statement(s)
Prevention	P264 Wash ... thoroughly after handling. P280 Wear protective gloves/protective clothing/eye protection/face protection.
Response	P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing. P337+P313 If eye irritation persists: Get medical advice/attention.
Storage	none
Disposal	none

2.3 Other hazards which do not result in classification

none

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6. NMR Spectrum

13C NMR : Predict

7. Other Information

7.0 Usage: Antibiotic effective against mycobacteria. Can also inhibit DNA polymeraseRifamycin SV sodium is an antimicrobial agent used to inhibit the DNA polymerase and RNA polymerase in biochemistry. It is used for the treatment of HIV-related Tuberculosis, traveler?s diarrhea (TD), clostridium difficile-associated disease (CDAD) and rheumatoid knee synovitis. It is utilized to study potential genes like rif15 and rif16 during the conversion of rifamycin SV into rifamycin B.

7.1 Uses: Rifamycin SV Sodium (Rifaximin EP Impurity C) is a semi-synthetic antibiotic derived from Rifamycin S. (1) Antibacterial (2). Potency >900 units (dry basis).

7.2 Uses: Semi-synthetic antibiotic derived from Rifamycin S. Antibacterial. Potency >900 units (dry basis).

7.3 Merck: 13,8302

7.4 Chemical Properties: Dark Red Solid

7.5 Uses: Semi-synthetic antibiotic derived from Rifamycin S. Antibacterial. Potency >900 units (dry basis).

8. Computational chemical data

Molecular Weight: 697.76858g/mol
Molecular Formula: C₃₇H₄₆NNaO₁₂
Compound Is Canonicalized: True
XLogP3-AA: null
Exact Mass: 719.29177018
Monoisotopic Mass: 719.29177018
Complexity: 1340
Rotatable Bond Count: 3
Hydrogen Bond Donor Count: 5
Hydrogen Bond Acceptor Count: 12
Topological Polar Surface Area: 204
Heavy Atom Count: 51
Defined Atom Stereocenter Count: 9
Undefined Atom Stereocenter Count: 0
Defined Bond Stereocenter Count: 3
Undefined Bond Stereocenter Count: 0
Isotope Atom Count: 0
Covalently-Bonded Unit Count: 2
CACTVS Substructure Key Fingerprint: AAADcfB+PCAAAAAAAAAAAAAAAAAAASAAAAAwYAAAAAAAAEjBUAAAHgAQCAAADRyhmAIyzsLABgCIAqXSWAKCCAAlIgAIiAFHbMgeNzbWtZ+meWjn9B3c+Yf6/P/O6QADSgAYEADSAAaUADAgAAAAAAAAAA==

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