Rifaximin(CAS No. 80621-81-4)

Rifaximin C43H51N3O11 (cas 80621-81-4) Molecular Structure

80621-81-4 Structure

Identification and Related Records

【Name】
Rifaximin
【CAS Registry number】
80621-81-4
【Synonyms】
L 105
L 105(ansamacrolide antibiotic)
L 105SV
Rifamycin L 105
Rifamycin L 105SV
Xifaxan
refaximin
【Molecular Formula】
C43H51N3O11 (Products with the same molecular formula)
【Molecular Weight】
785.87854
【Inchi】
InChI=1S/C43H51N3O11/c1-19-14-16-46-28(18-19)44-32-29-30-37(50)25(7)40-31(29)41(52)43(9,57-40)55-17-15-27(54-10)22(4)39(56-26(8)47)24(6)36(49)23(5)35(48)20(2)12-11-13-21(3)42(53)45-33(34(32)46)38(30)51/h11-18,20,22-24,27,35-36,39,48-51H,1-10H3,(H,45,53)/b12-11+,17-15+,21-13-/t20-,22+,23+,24+,27-,35-,36+,39+,43-/m0/s1
【InChIKey】
NZCRJKRKKOLAOJ-XRCRFVBUSA-N
【Canonical SMILES】
CC1C=CC=C(C(=O)NC2=C(C3=C(C4=C(C(=C3O)C)OC(C4=O)(OC=CC(C(C(C(C(C(C1O)C)O)C)OC(=O)C)C)OC)C)C5=C2N6C=CC(=CC6=N5)C)O)C
【Isomers smiles】
C[C@H]1/C=C/C=C(\C(=O)NC2=C(C3=C(C4=C(C(=C3O)C)O[C@@](C4=O)(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)C5=C2N6C=
CC(=CC6=N5)C)O)/C
【MOL File】
80621-81-4.mol

Chemical and Physical Properties

【Appearance】
Red-Orange Crystalline Powder
【Density】
1.366 g/cm3
【Melting Point】
200-205°C(dec)
【Refractive Index】
1.633
【Water】
soluble in ethyl alcohol and chloroform
【Solubilities】
soluble in ethyl alcohol and chloroform
【Storage temp】
0-6°C
【Computed Properties】
Molecular Weight:785.87854 [g/mol]
Molecular Formula:C43H51N3O11
XLogP3-AA:6.9
H-Bond Donor:5
H-Bond Acceptor:11
Rotatable Bond Count:3
Tautomer Count:265
Exact Mass:785.352359
MonoIsotopic Mass:785.352359
Topological Polar Surface Area:198
Heavy Atom Count:57
Formal Charge:0
Complexity:1590
Isotope Atom Count:0
Defined Atom Stereocenter Count:9
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:3
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1

Safety and Handling

【Safety】

RTECS: KD1576000

Use and Manufacturing

【Usage】

Non-absorbable semisynthetic Rifamycin antibiotic

Biomedical Effects and Toxicity

【Pharmacological Action】
- Substances that prevent infectious agents or organisms from spreading or kill infectious agents in order to prevent the spread of infection.
- Drugs used for their effects on the gastrointestinal system, as to control gastric acidity, regulate gastrointestinal motility and water flow, and improve digestion.

Supplier Location

Top Suppliers

Diamond member Nanjing Bangnuo Biotechnology Co., Ltd.
Country:ChinaChina
Business Type:Manufacturer
Telephone:86-25-52178272
Diamond member Hubei XinRunde Chemical Co., Ltd
Country:ChinaChina
Business Type:Manufacturer
Telephone:86-27-83214668
Diamond member Hangzhou Dayangchem Co., Ltd.
Country:ChinaChina
Business Type:Manufacturer
Telephone:86-571-88938639
Diamond member Wuhan Fortuna Chemical Co., Ltd.
Country:ChinaChina
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Telephone:0086-27-59207850
Diamond member AOPHARM
Country:ChinaChina
Business Type:Manufacturer
Telephone:86-311-66600578
Diamond member Jinlan Pharm-Drugs Technology Co., Limited
Country:ChinaChina
Business Type:Manufacturer
Telephone:86-571-85829152
Diamond member Hangzhou J&H Chemical Co., Ltd
Country:ChinaChina
Business Type:Manufacturer
Telephone:86-571-87396430
Hubei Yuancheng Saichuang Technology Co., Ltd
Country:ChinaChina
Business Type:Manufacturer
Telephone:86-27-50755982
Shenzhen Simeiquan Biotechnology Co.Ltd
Country:ChinaChina
Business Type:Manufacturer
Telephone:86-20-18102838259
Wuhan Dahua Weiye Pharmaceutical Co.,Ltd
Country:ChinaChina
Business Type:Manufacturer
Telephone:86-27-59261290

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