-
Name
13',19'-Didehydro-19'-deoxy-28,44-dihydro-44-hydroxymicrococcin P
- EINECS
- CAS No. 67401-56-3
- Article Data2
- CAS DataBase
- Density 1.1650 (rough estimate)
- Solubility
- Melting Point
- Formula C48H49N13O9S6
- Boiling Point
- Molecular Weight 1144.46
- Flash Point
- Transport Information
- Appearance
- Safety Moderately toxic by subcutaneous route. When heated to decomposition it emits toxic vapors of NOx and SOx.
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- Synonyms Micrococcin P1,>95% by HPLC;MICROCOCCIN P1;MICROCOCCIN;
- PSA 494.96000
- LogP 7.66500
Micrococcin Chemical Properties
Product Name: Micrococcin (CAS NO.67401-56-3)
Molecular Formula: C48H49N13O9S6
Molecular Weight: 1144.46g/mol
Mol File: 67401-56-3.mol
Density: 1.427 g/cm3
Surface Tension: 66.3 dyne/cm
XLogP3-AA: 4.6
H-Bond Donor: 9
H-Bond Acceptor: 16
Structure Descriptors of Micrococcin (CAS NO.67401-56-3):
Canonical SMILES: CC=C1C2=NC(=CS2)C(=O)NC(C3=NC(=CS3)C(=O)NC(C4=NC(=CS4)C5=C(C=CC(=N5)C6=NC(=CS6)C7=NC(=CS7)C(=O)NC(=CC)C(=O)NCC(C)O)C8=NC(=CS8)C(=O)NC(C(=O)N1)C(C)O)C(C)O)C(C)C
Isomeric SMILES: C/C=C/1\C2=NC(=CS2)C(=O)NC(C3=NC(=CS3)C(=O)NC(C4=NC(=CS4)C5=C(C=CC(=N5)C6=NC(=CS6)C7=NC(=CS7)C(=O)N/C(=C/C)/C(=O)NCC(C)O)C8=NC(=CS8)C(=O)NC(C(=O)N1)C(C)O)C(C)O)C(C)C
InChI: InChI=1S/C48H49N13O9S6/c1-8-24(37(65)49-12-20(5)62)51-38(66)28-15-73-46(56-28)32-18-74-45(58-32)26-11-10-23-36(50-26)27-13-75-48(53-27)35(22(7)64)61-41(69)31-17-76-47(57-31)33(19(3)4)59-39(67)30-16-72-44(55-30)25(9-2)52-42(70)34(21(6)63)60-40(68)29-14-71-43(23)54-29/h8-11,13-22,33-35,62-64H,12H2,1-7H3,(H,49,65)(H,51,66)(H,52,70)(H,59,67)(H,60,68)(H,61,69)/b24-8+,25-9+
InChIKey: MQGFYNRGFWXAKA-IQEGOQEASA-N
Micrococcin Toxicity Data With Reference
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | subcutaneous | 1500mg/kg (1500mg/kg) | "CRC Handbook of Antibiotic Compounds," Vols.1- , Berdy, J., Boca Raton, FL, CRC Press, 1980Vol. 4(1), Pg. 415, 1980. |
Micrococcin Safety Profile
Moderately toxic by subcutaneous route. When heated to decomposition it emits toxic vapors of NOx and SOx.
Micrococcin Specification
Micrococcin ,its CAS NO. is 67401-56-3,the synonyms is BRN 1070340 ; Micrococcin P1 ; Micrococcin P, 13',19'-didehydro-19'-deoxy-28,44-dihydro-44-hydroxy- .
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