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Details

Stereochemistry ABSOLUTE
Molecular Formula C18H12O9
Molecular Weight 372.2825
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DOTHISTROMIN

SMILES

O[C@H]1C[C@]2(O)[C@H](O1)OC3=C2C(O)=C4C(=O)C5=C(C(O)=CC=C5O)C(=O)C4=C3

InChI

InChIKey=FBPGRTYADYGYRG-AHBCHLHISA-N
InChI=1S/C18H12O9/c19-6-1-2-7(20)12-11(6)14(22)5-3-8-13(16(24)10(5)15(12)23)18(25)4-9(21)27-17(18)26-8/h1-3,9,17,19-21,24-25H,4H2/t9-,17+,18-/m1/s1

HIDE SMILES / InChI

Molecular Formula C18H12O9
Molecular Weight 372.2825
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 3 / 3
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Mon Mar 31 19:58:16 GMT 2025
Edited
by admin
on Mon Mar 31 19:58:16 GMT 2025
Record UNII
27USW980DL
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ANTHRA(2,3-B)FURO(3,2-D)FURAN-5,10-DIONE, 2,3,3A,12A-TETRAHYDRO-2,3A,4,6,9-PENTAHYDROXY-, (2R,3AR,12AS)-
Preferred Name English
DOTHISTROMIN
Common Name English
ANTHRA(2,3-B)FURO(3,2-D)FURAN-5,10-DIONE, 2,3,3A,12A-TETRAHYDRO-2,3A,4,6,9-PENTAHYDROXY-, (2R-(2.ALPHA.,3A.BETA.,12A.BETA.))-
Common Name English
Code System Code Type Description
EPA CompTox
DTXSID50953471
Created by admin on Mon Mar 31 19:58:16 GMT 2025 , Edited by admin on Mon Mar 31 19:58:16 GMT 2025
PRIMARY
CAS
31456-72-1
Created by admin on Mon Mar 31 19:58:16 GMT 2025 , Edited by admin on Mon Mar 31 19:58:16 GMT 2025
PRIMARY
FDA UNII
27USW980DL
Created by admin on Mon Mar 31 19:58:16 GMT 2025 , Edited by admin on Mon Mar 31 19:58:16 GMT 2025
PRIMARY
PUBCHEM
108014
Created by admin on Mon Mar 31 19:58:16 GMT 2025 , Edited by admin on Mon Mar 31 19:58:16 GMT 2025
PRIMARY