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Rifamycin,3-[[(4-cyclopentyl-1-piperazinyl)imino]methyl]-(CAS No. 61379-65-5)

Rifamycin,3-[[(4-cyclopentyl-1-piperazinyl)imino]methyl]- C47H64N4O12 (cas 61379-65-5) Molecular Structure

61379-65-5 Structure

Identification and Related Records

【Name】
Rifamycin,3-[[(4-cyclopentyl-1-piperazinyl)imino]methyl]-
【CAS Registry number】
61379-65-5
【Synonyms】
Antibiotic DL 473IT
Cyclopentylrifampicin
DL 473
KTC 1
MDL 473
Prifitin
Priftin
R 77-3
Rifamycin AF/ACPP
Rifapentin
【EINECS(EC#)】
262-743-9
【Molecular Formula】
C47H64N4O12 (Products with the same molecular formula)
【Molecular Weight】
877.03066
【Inchi】
InChI=1S/C47H64N4O12/c1-24-13-12-14-25(2)46(59)49-37-32(23-48-51-20-18-50(19-21-51)31-15-10-11-16-31)41(56)34-35(42(37)57)40(55)29(6)44-36(34)45(58)47(8,63-44)61-22-17-33(60-9)26(3)43(62-30(7)52)28(5)39(54)27(4)38(24)53/h12-14,17,22-24,26-28,31,33,38-39,43,48,53-55,57H,10-11,15-16,18-21H2,1-9H3,(H,49,59)/b13-12+,22-17+,25-14-,32-23+/t24-,26+,27+,28+,33-,38-,39+,43+,47-/m0/s1
【InChIKey】
RISDZDVHYCURHD-QLWTZYDESA-N
【Canonical SMILES】
CC1C=CC=C(C(=O)NC2=C(C3=C(C(=C4C(=C3C(=O)C2=CNN5CCN(CC5)C6CCCC6)C(=O)C(O4)(OC=CC(C(C(C(C(C(C1O)C)O)C)OC(=O)C)C)OC)C)C)O)O)C
【Isomers smiles】
C[C@H]1/C=C/C=C(\C(=O)NC\2=C(C3=C(C(=C4C(=C3C(=O)/C2=C/NN5CCN(CC5)
C6CCCC6)C(=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
【MOL File】
61379-65-5.mol

Chemical and Physical Properties

【Appearance】
red-brown crystalline powder
【Density】
1.35 g/cm3 (20 C)
【Melting Point】
179-1800C
【Refractive Index】
1.63
【Water】
slightly soluble
【Solubilities】
slightly soluble Appearance:red-brown crystalline powder
Transport Information: OTH
Hazard Symbols:UN NO.
【Storage temp】
Store in original container in a cool dark place.
【Computed Properties】
Molecular Weight:877.03066 [g/mol]
Molecular Formula:C47H64N4O12
XLogP3-AA:5.8
H-Bond Donor:6
H-Bond Acceptor:15
Rotatable Bond Count:6
Tautomer Count:1000
Exact Mass:876.452074
MonoIsotopic Mass:876.452074
Topological Polar Surface Area:217
Heavy Atom Count:63
Formal Charge:0
Complexity:1870
Isotope Atom Count:0
Defined Atom Stereocenter Count:9
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:4
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1

Safety and Handling

【Hazard Codes】
UN NO.
【Transport】
OTH
【Specification】

Crystalline Solid
usageEng:Semi-synthetic rifamycin. Antibacterial (tuberculostatic)

Use and Manufacturing

【Usage】
Semi-synthetic rifamycin. Antibacterial (tuberculostatic)

Biomedical Effects and Toxicity

【Pharmacological Action】
- Substances obtained from various species of microorganisms that are, alone or in combination with other agents, of use in treating various forms of tuberculosis; most of these agents are merely bacteriostatic, induce resistance in the organisms, and may be toxic.
- Substances that suppress Mycobacterium leprae, ameliorate the clinical manifestations of leprosy, and/or reduce the incidence and severity of leprous reactions.
【Therapeutic Uses】
Semi-synthetic rifamycin. Antibacterial (tuberculostatic)

Supplier Location

Top Suppliers

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 Hubei XinRunde Chemical Co., Ltd
Country:ChinaChina
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Telephone:86-27-83214668
Diamond member Nanjing Chemlin Chemical Co., Ltd.
Country:ChinaChina
Business Type:Manufacturer
Telephone:86-25-83697070
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
Jinan Haohua Industry Co., Ltd.
Country:ChinaChina
Business Type:Manufacturer
Telephone:0086-531-58773055
Wuhan Senwayer Century chemical Co.,Ltd
Country:ChinaChina
Business Type:Manufacturer
Telephone:86-27-59009407
taizhou hoyoo chemical co.,ltd
Country:ChinaChina
Business Type:Manufacturer
Telephone:86-576-88666163

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