(1R,10R,12R,21R,22S,23R,24R)-23-(Dimethylamino)-4,8,12,22,24-pentahydroxy-10-methoxy-1,12-dimethyl-20,25-dioxahexacyclo[19.3.1.0~2,19~.0~5,18~.0~7,16~.0~9,14~]pentacosa-2,4,7(16),8,14,18-hexaene-6,17- dione

Basic Information

(1R,10R,12R,21R,22S,23R,24R)-23-(Dimethylamino)-4,8,12,22,24-pentahydroxy-10-methoxy-1,12-dimethyl-20,25-dioxahexacyclo[19.3.1.0~2,19~.0~5,18~.0~7,16~.0~9,14~]pentacosa-2,4,7(16),8,14,18-hexaene-6,17-
dione

CAS Number

71628-96-1

Molecular Formula

C28H31NO10

Molecular Weight

541.553 g/mol

Quick Actions

Basic Physical Properties

Melting Point

247-249° (dec); mp 250-254° (dec)

Boiling Point

616.59°C (rough estimate)

Density

1.3298 (rough estimate)

Refractive Index

1.6290 (estimate)

Specific Rotation

D20 +857° (c = 0.112 in CHCl3); D20 +867° (c = 0.045 in CHCl3); D +958° (c = 0.163 in CHCl3)

SMILES

CC1(CC(C2=C(C3=C(C=C2C1)C(=O)C4=C5C(=CC(=C4C3=O)O)C6(C(C(C(C(O5)O6)O)N(C)C)O)C)O)OC)O

InChI

InChI=1S/C28H31NO10/c1-27(36)8-10-6-11-16(21(32)15(10)14(9-27)37-5)22(33)17-13(30)7-12-24(18(17)20(11)31)38-26-23(34)19(29(3)4)25(35)28(12,2)39-26/h6-7,14,19,23,25-26,30,32,34-36H,8-9H2,1-5H3/t14-,19+,23+,25-,26-,27-,28-/m1/s1

InChIKey

LWYJUZBXGAFFLP-OCNCTQISSA-N

LogP

0.8737999999999988

Topological Polar Surface Area

166.22 Ų

Hydrogen Bond Donor/Acceptor

5 / 11

Complexity

1020

Classification & Uses

Chemical Classification

Pharmaceutical Products
APIs & Intermediates
Intermediates

Safety Information

Synonyms & References

English

  • TUT-7
  • D04914
  • 7(R)-O-Methylnorgarol
  • 2,6-EPOXY-2H-NAPHTHACENO(1,2-B)OXOCIN-9,16-DIONE, 4-(DIMETHYLAMINO)-3,4,5,6,11,12,13,14-OCTAHYDRO-3,5,8,10,13-PENTAHYDROXY-11-METHOXY-6,13-DIMETHYL-, (2R,3S,4R,5R,6R,11R,13R)-
  • (1R,10R,12R,21R,22S,23R,24R)-23-(dimethylamino)-4,8,12,22,24-pentahydroxy-10-methoxy-1,12-dimethyl-20,25-dioxahexacyclo[19.3.1.02,19.05,18.07,16.09,14]pentacosa-2,4,7(16),8,14,18-hexaene-6,17-dione
  • SCHEMBL4451
  • UNII-8JSV4O30HQ
  • U-52047
  • Menogaril [USAN:INN]
  • MENOGARIL [MART.]
  • Q6817231
  • MENOGARIL [USAN]
  • Menogarilo
  • DTXSID601024504
  • 7(R)-O-Methylnogarol
  • NSC-269,148
  • MENOGARIL [MI]
  • CCRIS 8607
  • NS00011904
  • MENOGARIL [JAN]
  • 7-Con-O-methylnogaril
  • Menogarol
  • 71628-96-1
  • Menogarilo [Spanish]
  • (2R,3S,4R,5R,6R,11R,13R)-4-(Dimethylamino)-3,4,5,6,11,12,13,14-octahydro-3,5,8,10,13-pentahydroxy-11-methoxy-6,13-dimethyl-2,6-epoxy-2H-naphthaceno(1,2-b)oxocin-9,16-dione
  • Menogaril (USAN/INN)
  • U-52,047
  • MENOGARIL [INN]
  • Tomosar
  • 7-Con-O-methylnogarol
  • 2,6-EPOXY-2H-NAPHTHACENO(1,2-B)OXOCIN-9,16-DIONE, 4-(DIMETHYLAMINO)-3,4,5,6,11,12,13,14-OCTAHYDRO-3,5,8,10,13-PENTAHYDROXY-11-METHOXY-6,13-DIMETHYL-, (2R-(2.ALPHA.,3.BETA.,4.ALPHA.,5.BETA.,6.ALPHA.,11.ALPHA.,13.ALPHA.))-
  • Menogarilum [Latin]
  • 7-O-METHYLNOGAROL
  • Menogarilum
  • 7-OMEN
  • NSC 269148
  • CHEMBL1234391
  • MENOGARIL
  • 8JSV4O30HQ
  • (2R,3S,4R,5R,6R,11R,13R)-4-(dimethylamino)-3,5,8,10,13-pentahydroxy-11-methoxy-6,13-dimethyl-3,4,5,6,11,12,13,14-octahydro-2H-2,6-epoxytetraceno[1,2-b]oxocine-9,16-dione
  • NSC-269148
  • 2,6-Epoxy-2H-naphthaceno(1,2-b)oxocin-9,16-dione, 4-(dimethylamino)-3,4,5,6,11,12,13,14-octahydro-3,5,8,10,13-pentahydroxy-11-methoxy-6,13-dimethyl-, (2R-(2alpha,3beta,4alpha,5beta,6alpha,11alpha,13alpha))-
  • 2,6-Epoxy-2H-naphthaceno[1,2-b]oxocin-9,16-dione,4-(dimethylamino)-3,4,5,6,11,12,13,14-octahydro-3,5,8,10,13-pentahydroxy-11-methoxy-6,13-dimethyl-,(2R,3S,4R,5R,6R,11R,13R)-
  • 2,6-Epoxy-2H-naphthaceno[1,2-b]oxocin-9,16-dione,4-(dimethylamino)-3,4,5,6,11,12,13,14-octahydro-3,5,8,10,13-pentahydroxy-11-
  • Menogaril
  • 7-chlor-1h-indol
  • 7-Chlor-indol
  • 7-chloro indole
  • 7-Cl indole
  • 7-con-O-methylnogarol
  • indole-7-chloro

CAS Number

71628-96-1

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