U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C32H34N2O11
Molecular Weight 622.6192
Optical Activity UNSPECIFIED
Defined Stereocenters 7 / 7
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CYANOMORPHOLINODAUNOMYCIN

SMILES

COC1=CC=CC2=C1C(=O)C3=C(O)C4=C(C[C@](O)(C[C@@H]4O[C@H]5C[C@@H]([C@H](O)[C@H](C)O5)N6CCOC[C@H]6C#N)C(C)=O)C(O)=C3C2=O

InChI

InChIKey=HTTPDXWOJNATIS-SMVOTLQJSA-N
InChI=1S/C32H34N2O11/c1-14-27(36)19(34-7-8-43-13-16(34)12-33)9-22(44-14)45-21-11-32(41,15(2)35)10-18-24(21)31(40)26-25(29(18)38)28(37)17-5-4-6-20(42-3)23(17)30(26)39/h4-6,14,16,19,21-22,27,36,38,40-41H,7-11,13H2,1-3H3/t14-,16+,19-,21-,22-,27+,32-/m0/s1

HIDE SMILES / InChI

Molecular Formula C32H34N2O11
Molecular Weight 622.6192
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 7 / 7
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Mon Mar 31 21:56:17 GMT 2025
Edited
by admin
on Mon Mar 31 21:56:17 GMT 2025
Record UNII
2CY7BG9I45
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CYANOMORPHOLINODAUNOMYCIN
Common Name English
8-ACETYL-10-((3-((R)-3-CYANO-4-MORPHOLINYL)-2,3,6-TRIDEOXY-.ALPHA.-L-LYXO-HEXOPYRANOSYL)OXY)-7,8,9,10-TETRAHYDRO-6,8,11-TRIHYDROXY-1-METHOXY-5,12-NAPHTHACENEDIONE, (8S,10S)-
Preferred Name English
CCRIS 5079
Common Name English
5,12-NAPHTHACENEDIONE, 8-ACETYL-10-((3-((R)-3-CYANO-4-MORPHOLINYL)-2,3,6-TRIDEOXY-.ALPHA.-L-LYXO-HEXOPYRANOSYL)OXY)-7,8,9,10-TETRAHYDRO-6,8,11-TRIHYDROXY-1-METHOXY-, (8S,10S)-
Systematic Name English
Code System Code Type Description
FDA UNII
2CY7BG9I45
Created by admin on Mon Mar 31 21:56:17 GMT 2025 , Edited by admin on Mon Mar 31 21:56:17 GMT 2025
PRIMARY
EPA CompTox
DTXSID80915340
Created by admin on Mon Mar 31 21:56:17 GMT 2025 , Edited by admin on Mon Mar 31 21:56:17 GMT 2025
PRIMARY
CAS
89164-74-9
Created by admin on Mon Mar 31 21:56:17 GMT 2025 , Edited by admin on Mon Mar 31 21:56:17 GMT 2025
PRIMARY
PUBCHEM
101124433
Created by admin on Mon Mar 31 21:56:17 GMT 2025 , Edited by admin on Mon Mar 31 21:56:17 GMT 2025
PRIMARY
CAS
94730-47-9
Created by admin on Mon Mar 31 21:56:17 GMT 2025 , Edited by admin on Mon Mar 31 21:56:17 GMT 2025
SUPERSEDED