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(4R,4aS,6S,12aS)-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboxamide | CAS No. 60-54-8

(4R,4aS,6S,12aS)-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboxamide

Basic Information

Chemical_Structure_Of
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CAS Number

60-54-8

Molecular Formula

C22H24N2O8

Molecular Weight

444.44 g/mol

AD

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids
Basic Chemical Raw Materials Organic Chemicals Ketones
Basic Chemical Raw Materials Organic Chemicals Amines
Fine Chemicals Dyes and Pigments Organic Dyes
Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Physical State

Powder

Melting Point

172-174 ºC (dec.)

Boiling Point

554.44°C (rough estimate)

Density

1.644

Water Solubility

Limited solubility in water. Soluble in 1M HCl with heating.

Flash Point

437.3 °C

Solubility

95% ethanol: soluble12.5mg/mL

Refractive Index

1.741

Specific Rotation

-257.9- -239° (MeOH)

SMILES

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CC1(C2CC3C(C(=O)C(=C(C3(C(=O)C2=C(C4=C1C=CC=C4O)O)O)O)C(=O)N)N(C)C)O

InChI

InChI=1S/C22H24N2O8/c1-21(31)8-5-4-6-11(25)12(8)16(26)13-9(21)7-10-15(24(2)3)17(27)14(20(23)30)19(29)22(10,32)18(13)28/h4-6,9-10,15,25-26,29,31-32H,7H2,1-3H3,(H2,23,30)/t9-,10-,15-,21+,22-/m0/s1

InChIKey

NWXMGUDVXFXRIG-WESIUVDSSA-N

LogP

-0.2143999999999982

pKa

pKa (50% aq DMF): 8.3, 10.2(at 25℃)

Topological Polar Surface Area

181.61999999999998 Ų

Hydrogen Bond Donor/Acceptor

7 / 10

Complexity

971

Safety Information

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GHS Hazard Pictograms

H302H302

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

Toxicity

LD50 in rats, mice (mg/kg): 807, 808 orally (Goldenthal)

Synonyms & References

English

  • Tetracycline Monohydrochloride
  • 60-54-8 (FREE BASE)
  • F8VB5M810T
  • NSC-108579
  • D08NQZ
  • KBioGR_000783
  • (4R,4AS,5AS,6S,12AS)-4-(DIMETHYLAMINO)-3,6,10,12,12A-PENTAHYDROXY-6-METHYL-1,11-DIOXO-1,4,4A,5,5A,6,11,12A-OCTAHYDROTETRACENE-2-CARBOXAMIDE
  • E701
  • Tetra-Co
  • NCGC00142507-02
  • Cefracycline
  • Micycline
  • SR-01000000212
  • Prestwick0_000140
  • Purocyclina
  • (4S,4aS,5aS,6S,12aS)-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboxamide
  • Tetracycl
  • Economycin
  • Tetracyclines
  • Spectrum5_001112
  • Spectrum4_000352
  • Neocycline
  • OFVLGDICTFRJMM-WESIUVDSSA-N
  • Sumycin (TN)
  • Solvocin
  • 6-Methyl-1,11-dioxy-2-naphthacenecarboxamide
  • SCHEMBL2116661
  • EINECS 200-481-9
  • NCGC00017323-03
  • Robitet
  • MFCD00151232

MDL Number

MFCD00151232

Customs Code

2941301100

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(4R,4aS,6S,12aS)-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboxamide — HuNaHuiBaiShi Biotechnology Co Ltd

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(4R,4aS,6S,12aS)-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboxamide — Hubei Chenghai Chemical Co., Ltd.

Hubei Chenghai Chemical Co., Ltd.

CAS Number: 60-54-8

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(4R,4aS,6S,12aS)-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboxamide — HePeng （ ShangHai ） Biotechnology Co Ltd

HePeng （ ShangHai ） Biotechnology Co Ltd

CAS Number: 60-54-8

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(4R,4aS,6S,12aS)-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboxamide — Hubei Nona Technology Co., Ltd.

Hubei Nona Technology Co., Ltd.

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JACS- ZhengZhouJieKeSiHuaGongChanPin Co Ltd

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(4R,4aS,6S,12aS)-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboxamide — HuBeiBaiDuHuaXue Co Ltd

HuBeiBaiDuHuaXue Co Ltd

CAS Number: 60-54-8

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(4R,4aS,6S,12aS)-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboxamide — Shanghai Yinxin Laboratory Equipment Co., Ltd.

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