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CAS No.: | 1405-97-6 |
---|---|
Name: | Gramicidin |
Article Data: | 2 |
Molecular Structure: | |
Formula: | C99H140N20O17 |
Molecular Weight: | 1882.32 |
Synonyms: | Gramicidins;Gramoderm;Gramicidinum; |
EINECS: | 215-790-4 |
Density: | 1.24g/cm3 |
Melting Point: | 229-230℃ |
Boiling Point: | 1394.8°C at 760 mmHg |
Flash Point: | 797.4°C |
Solubility: | Soluble in acetic acid and lower alcohols. Practically insoluble in water. |
Appearance: | white powder |
Hazard Symbols: | Xn |
Risk Codes: | 20/21-36/37/38 |
Safety: | 26-36-24/25-22 |
PSA: | 548.99000 |
LogP: | 11.26260 |
Gramicidin A
Conditions | Yield |
---|---|
With chlorotriisopropylsilane; water; trifluoroacetic acid; phenol In dichloromethane at 25℃; for 1h; Inert atmosphere; |
Conditions | Yield |
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Stage #1: C117H166N19O24Pol With trifluoroacetic acid In water at 20℃; hydroxymethylbenzoic acid-TentaGel macrobeads; Stage #2: ethanolamine In N,N-dimethyl-formamide at 50℃; hydroxymethylbenzoic acid-TentaGel macrobeads; |
Gramicidin A
Conditions | Yield |
---|---|
With deuteromethanol for 24h; |
The systematic name of Gramicidin is Gramicidin. With the CAS registry number 1405-97-6, it is also named as Gramicidinum. The product's categories are A-KAntibiotics; Antibacterial; Antibiotics A to; Antibiotics G-MAntibiotics; Chemical Structure Class; Inhibits an EnzymeAntibiotics; Interferes with Cell Membrane Permeability (Ionophores)Antibiotics; Mechanism of Action; Peptides; Spectrum of Activity; Peptides Multi-Drug Resistance; Substrates for Drug Efflux Pumps; Drug Efflux Pumps. Besides, it is a heterogeneous mixture of six antibiotic compounds, which should be stored at 2-8 °C. In addition, its molecular formula is C99H140N20O17 and molecular weight is 1882.2947.
Uses of Gramicidin: this chemical is active against Gram-positive bacteria, except for the Gram-positive bacilli. It is also against select Gram-negative organisms, such as Neisseria bacteria. Furthermore, it can be used primarily as a topical antibiotic.
When you are using this chemical, please be cautious about it as the following: it is irritating to eyes, respiratory system and skin. It is also harmful by inhalation and in contact with skin. In case of contact with eyes, please rinse immediately with plenty of water and seek medical advice. And you should wear suitable protective clothing. Moreover, please do not breathe dust. And you should avoid contact with skin and eyes.
People can use the following data to convert to the molecule structure.
(1)Canonical SMILES: CC(C)CC(C(=O)NC(C)C(=O)NC(C(C)C)C(=O)NC(C(C)C)C(=O)NC(C(C)C)C(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)NC(CC(C)C)C(=O)NC(CC3=CNC4=CC=CC=C43)C(=O)NC(CC(C)C)C(=O)NC(CC5=CNC6=CC=CC=C65)C(=O)NC(CC(C)C)C(=O)NC(CC7=CNC8=CC=CC=C87)C(=O)NCCO)NC(=O)C(C)NC(=O)CNC(=O)C(C(C)C)NC=O
(2)Isomeric SMILES: C[C@@H](C(=O)N[C@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@H](C(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)N[C@H](CC(C)C)C(=O)N[C@@H](CC3=CNC4=CC=CC=C43)C(=O)N[C@H](CC(C)C)C(=O)N[C@@H](CC5=CNC6=CC=CC=C65)C(=O)N[C@H](CC(C)C)C(=O)N[C@@H](CC7=CNC8=CC=CC=C87)C(=O)NCCO)NC(=O)CNC(=O)[C@H](C(C)C)NC=O
(3)InChI: InChI=1S/C99H140N20O17/c1-51(2)37-73(109-86(123)59(17)107-81(122)49-105-96(133)82(55(9)10)106-50-121)89(126)108-60(18)87(124)117-84(57(13)14)98(135)119-85(58(15)16)99(136)118-83(56(11)12)97(134)116-80(44-64-48-104-72-34-26-22-30-68(64)72)95(132)112-76(40-54(7)8)92(129)115-79(43-63-47-103-71-33-25-21-29-67(63)71)94(131)111-75(39-53(5)6)91(128)114-78(42-62-46-102-70-32-24-20-28-66(62)70)93(130)110-74(38-52(3)4)90(127)113-77(88(125)100-35-36-120)41-61-45-101-69-31-23-19-27-65(61)69/h19-34,45-48,50-60,73-80,82-85,101-104,120H,35-44,49H2,1-18H3,(H,100,125)(H,105,133)(H,106,121)(H,107,122)(H,108,126)(H,109,123)(H,110,130)(H,111,131)(H,112,132)(H,113,127)(H,114,128)(H,115,129)(H,116,134)(H,117,124)(H,118,136)(H,119,135)/t59-,60-,73+,74+,75+,76+,77-,78-,79-,80-,82-,83-,84+,85-/m0/s1
(4)InChIKey: ZWCXYZRRTRDGQE-SORVKSEFSA-N
The toxicity data is as follows:
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
mouse | LD50 | intravenous | 1500ug/kg (1.5mg/kg) | Science. Vol. 103, Pg. 419, 1946. | |
mouse | LD50 | parenteral | 17ug/kg (0.017mg/kg) | "Antibiotics: Origin, Nature, and Properties," Korzyoski, T., et al., eds., Washington, DC, American Soc. for Microbiology, 1978Vol. 3, Pg. 1542, 1978. | |
mouse | LDLo | intraperitoneal | 20mg/kg (20mg/kg) | BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: EXCITEMENT LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES | Journal of Pharmacology and Experimental |