Cas no 987-02-0 (Demecycline)
Demecycline structure
Product Name:Demecycline
CAS No:987-02-0
MF:C21H22N2O8
MW:430.407986164093
CID:808915
PubChem ID:54682469
Update Time:2025-04-19
Demecycline Chemical and Physical Properties
Names and Identifiers
-
- 2-Naphthacenecarboxamide,4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,6,10,12,12a-pentahydroxy-1,11-dioxo-,(4S,4aS,5aS,6S,12aS)-
- (4S,4aS,5aS,6S,12aR)-4-(dimethylamino)-1,6,10,11,12a-pentahydroxy-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide
- DEMECYCLINE
- Demethyltetracycline
- CL 22415; Demethyltetracycline; Floricina
- D03681
- AKOS040748232
- HY-108971
- CHEMBL2106517
- DEMECYCLINE [INN]
- Demeciclina [INN-Spanish]
- Demeciclina
- A IX
- DEMECYCLINE [USAN]
- NS00011909
- SCHEMBL194288
- Demecyclinum
- 2-Naphthacenecarboxamide, 4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,6,10,12,12a-pentahydroxy-1,11-dioxo-, (4S-(4alpha,4aalpha,5aalpha,6beta,12alpha))-
- RP-6798
- NIOSH/CB9564000
- CL 22415
- CHEBI:207838
- CB95640000
- 6-Demethyltetracyclin
- Q27290401
- 4beta-Dimethylamino-1,4,4a,5,5a,6,11,12a-octahydro-3,6alpha,10,12,12abeta-pentahydro-1,11-dioxo-2-naphthacencarboxamid
- CS-0033830
- 987-02-0
- 2-Naphthacenecarboxamide, 4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,6,10,12,12a-pentahydroxy-1,11-dioxo-, (4S-(4alpha,4aalpha,5aalpha,6beta,12aalpha))-
- 6-demethyltetracycline
- UNII-TV240CH11P
- 4-(Dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,6,10,12,12a-pentahydroxy-1,11-dioxo-2-naphthacenecarboxamide
- Demecycline (USAN/INN)
- TV240CH11P
- Antibiotic RP-6798
- CL-22415
- Demecyclinum [INN-Latin]
- 2-NAPHTHACENECARBOXAMIDE, 4-(DIMETHYLAMINO)-1,4,4A,5,5A,6,11,12A-OCTAHYDRO-3,6,10,12,12A-PENTAHYDROXY-1,11-DIOXO-, (4S-(4.ALPHA.,4A.ALPHA.,5A.ALPHA.,6.BETA.,12A.ALPHA.))-
- Demecyclin
- A-IX
- Demecycline [USAN:INN]
- DTXSID001024794
- Demethyltetracycline (>90%)
- Demecycline
-
- Inchi： 1S/C21H22N2O8/c1-23(2)14-9-6-8-12(16(26)11-7(15(8)25)4-3-5-10(11)24)18(28)21(9,31)19(29)13(17(14)27)20(22)30/h3-5,8-9,14-15,24-26,29,31H,6H2,1-2H3,(H2,22,30)/t8-,9-,14-,15+,21-/m0/s1
- InChI Key： RMVMLZHPWMTQGK-SOUFLCLCSA-N
- SMILES： O[C@@]12C(=C(C(N)=O)C([C@H]([C@@H]1C[C@@H]1[C@@H](C3C=CC=C(C=3C(=C1C2=O)O)O)O)N(C)C)=O)O
Computed Properties
- Exact Mass: 430.138
- Monoisotopic Mass: 430.138
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 6
- Hydrogen Bond Acceptor Count: 9
- Heavy Atom Count: 31
- Rotatable Bond Count: 2
- Complexity: 924
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 5
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 182A^2
- Surface Charge: 0
- Tautomer Count: 168
- XLogP3: 0.1
Experimental Properties
- Density: 1.69
- Melting Point: Not available
- Boiling Point: 693.5°Cat760mmHg
- Flash Point: 373.2°C
- Refractive Index: 1.757
- Vapor Pressure: 0.0±2.8 mmHg at 25°C
Demecycline Security Information
- Signal Word：warning
- Hazard Statement： H303May be harmful if swallowed+H313Skin contact may be harmful+H333Inhalation may be harmful to the body
-
Warning Statement：
P264Thoroughly clean after treatment
P280Wear protective gloves/Wear protective clothing/Wear protective goggles/Wear a protective mask
P305If it enters the eyes
P351Rinse carefully with water for a few minutes
P338Remove the contact lens(If any)And easy to operate,Continue flushing
P337If eye irritation persists
P313Obtain medical advice/care - Safety Instruction： H303May be harmful if swallowed+H313Skin contact may be harmful+H333Inhalation may be harmful to the body
- Storage Condition：storage at -4℃ (1-2weeks), longer storage period at -20℃ (1-2years)
Demecycline Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| TRC | D231115-100mg |
Demethyltetracycline (>90%) |
987-02-0 | 100mg |
$ 249.00 | 2023-09-08 | ||
| TRC | D231115-1g |
Demethyltetracycline (>90%) |
987-02-0 | 1g |
$ 1961.00 | 2023-09-08 | ||
| ChemScence | CS-0033830-5mg |
Demecycline |
987-02-0 | 5mg |
$90.0 | 2022-04-26 | ||
| ChemScence | CS-0033830-10mg |
Demecycline |
987-02-0 | 10mg |
$150.0 | 2022-04-26 | ||
| MedChemExpress | HY-108971-5mg |
Demecycline |
987-02-0 | ≥98.0% | 5mg |
￥2200 | 2025-04-15 | |
| MedChemExpress | HY-108971-10mg |
Demecycline |
987-02-0 | ≥98.0% | 10mg |
￥3500 | 2025-04-15 | |
| MedChemExpress | HY-108971-1mg |
Demecycline |
987-02-0 | 1mg |
￥550 | 2023-08-31 | ||
| MedChemExpress | HY-108971-25mg |
Demecycline |
987-02-0 | 25mg |
￥3500 | 2023-08-31 | ||
| MedChemExpress | HY-108971-100mg |
Demecycline |
987-02-0 | ≥98.0% | 100mg |
￥8170 | 2024-04-15 |
Demecycline Related Literature
-
Raheleh Torabi,Hedayatollah Ghourchian,Massoud Amanlou Org. Biomol. Chem., 2016,14, 8141-8153
-
Dhamodaran Manikandan,S. Amirthapandian,I. S. Zhidkov,A. I. Kukharenko,S. O. Cholakh,Ramaswamy Murugan Phys. Chem. Chem. Phys., 2018,20, 6500-6514
-
Kaiyuan Huang,Wangkang Qiu,Meilian Ou,Xiaorui Liu,Zenan Liao,Sheng Chu RSC Adv., 2020,10, 18824-18829
-
Inês S. Albuquerque,Hélia F. Jeremias,Miguel Chaves-Ferreira,Dijana Matak-Vinkovic,Omar Boutureira,Carlos C. Rom?o Chem. Commun., 2015,51, 3993-3996
-
Suji Lee,Min Su Han Chem. Commun., 2021,57, 9450-9453
987-02-0 (Demecycline) Related Products
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- 914-00-1(Methacycline)
- 14206-58-7(4-epi-Oxytetracycline)
- 305833-60-7(Tetracycline Hydrate)
- 751-97-3(Rolitetracycline)
- 95940-02-6(7-Didemethyl Minocycline Dihydrochloride)
- 6542-44-5(1,11(4H,5H)-Naphthacenedione,2-acetyl-4-(dimethylamino)-4a,5a,6,12a-tetrahydro-3,6,10,12,12a-pentahydroxy-6-methyl-,(4S,4aS,5aS,6S,12aS)-)
- 6543-77-7(4-Epi Doxycycline (>70%))
- 3219-99-6(6-Epi Doxycycline, >90%)
- 5679-00-5(7-Didemethyl Minocycline)
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