Basic information
- Standard SMILES
CN(C)[C@H]1C(=O)C(C(N)=O)=C(O)[C@@]2(O)C(=O)C3=C(O)c4c(O)ccc(Cl)c4[C@@](C)(O)[C@H]3C[C@@H]12- InChIKey
DHPRQBPJLMKORJ-XRZQSNOTSA-N- Molecular formula
- C22H23ClN2O8
- Average molar mass
- 478.9 g/mol
- Monoisotopic mass
- 478.11429338
Names & identifiers
- Preferred name
- 4-Epichlortetracycline
- IUPAC
- (4R,4aS,5aS,6S,12aR)-7-chloro-4-(dimethylamino)-1,6,10,11,12a-pentahydroxy-6-methyl-3,12-dioxo-4,4a,5,5a-tetrahydrotetracene-2-carboxamide
- English name
- 4-Epichlortetracycline hydrochloride 'canbe used as secondary standard'
- Molecular formula
- C22H23ClN2O8
- Molecular weight
- 478.88
Names & synonyms
4-Epichlortetracycline4-epi-Chlortetracycline14297-93-9Chlortetracycline EP Impurity AEpichlortetracycline35ZT5OEQ74(4R,4aS,5aS,6S,12aR)-7-chloro-4-(dimethylamino)-1,6,10,11,12a-pentahydroxy-6-methyl-3,12-dioxo-4,4a,5,5a-tetrahydrotetracene-2-carboxamide(4R,4aS,5aS,6S,12aS)-7-chloro-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboxamide2-Naphthacenecarboxamide, 7-chloro-4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,6,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-, (4R-(4alpha,4abeta,5abeta,6alpha,12abeta))-UNII-35ZT5OEQ742-Naphthacenecarboxamide, 7-chloro-4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,6,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-, [4R-(4alpha,4abeta,5abeta,6alpha,12abeta)]-QUATRIMYCIN, CHLORO-
Show more names
4-EpichlorotetracyclineAureomycin ImpurityAureomycin Impurity ALymecycline Impurity 94-Epichlortetracycline.(4α)-7-ChlorotetracyclineAureomycin Impurity A(EP)4-epi chlortetracycline.HClChlortetracycline Impurity AChlortetracycline EP Impurity A Hydrochloride
CHEMBL1963084SCHEMBL30388873DTXSID60873792DTXSID5013725762-Naphthacenecarboxamide, 7-chloro-4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,6,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-, (4R,4aS,5aS,6S,12aS)-7-Chloro-4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,6,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-2-naphthacenecarboxamide (4R-(4alpha,4abeta,5abeta,6alpha,12abeta))-PD156011NS00078030
Database identifiers
- CAS
14297-93-9- PubChem CID
- 54678407
- DTXSID
DTXSID501372576- ChEMBL
CHEMBL1963084- UNII
- 35ZT5OEQ74
- Nikkaji
- J418.465C
Properties
Computed structural properties
- XLogP
- -1.3
- Topological polar surface area
- 182 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 2
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 1,010
Experimental & physicochemical properties
DrugsPharmaceuticals -> Antibiotics
Physicochemical properties
- Boiling point
- 821.1 · 821.1±65.0 °C(Predicted)
- Density
- 1.7 · 1.70±0.1 g/cm3(Predicted)
- pka
- 4.5 · 4.50±1.00(Predicted)
- FDA UNII
- 35 ZT5OEQ74 · 35ZT5OEQ74
- EPA Substance Registry System
- 2 · 2-Naphthacenecarboxamide, 7-chloro-4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,6,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-, (4R,4aS,5aS,6S,12aS)- (14297-93-9)
Chemistry & industry
Suppliers16 total
济南百隆化学有限公司[email protected] · [email protected]
佛山宝诺生物科技有限公司0757-85921206 18520245316 · [email protected]
湖北扬信医药科技有限公司15347293736 · [email protected]
四川省维克奇生物科技有限公司028-81700200 18116577057 · [email protected]
天津普西唐生物医药科技有限公司010-60605840 · [email protected]
深圳振强药物研发有限公司+86-0755-66853366 +86-13670046396 · [email protected]
坛墨质检科技股份有限公司19850211281 · [email protected]
珠海安哲生物科技有限公司13169972583 · [email protected]
天津阿尔塔科技有限公司022-6537-8550 15522853686 · [email protected]
Standardpharm Co. Ltd.86-714-3992388 · [email protected]
湖北万业众诚化学试剂有限责任公司18671296875 · [email protected]
深圳市华信医药科技有限公司15671363360 · [email protected]
广州佳途科技股份有限公司020-81960175-877 18933936954 · [email protected]
广州牌牌生物科技有限公司+86-13602409664 +86-17788709170 · [email protected]
陕西缔都医药有限责任公司81148925 17391631969 · [email protected]
广州奥司汀生物技术有限公司15918640830 13268843209 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Linked notes
Loading…