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Details

Stereochemistry ABSOLUTE
Molecular Formula C29H33NO10
Molecular Weight 555.573
Optical Activity UNSPECIFIED
Defined Stereocenters 6 / 6
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of N,N-DIMETHYLDAUNORUBICIN

SMILES

[H][C@@]1(C[C@@](O)(CC2=C1C(O)=C3C(=O)C4=C(OC)C=CC=C4C(=O)C3=C2O)C(C)=O)O[C@H]5C[C@@H]([C@H](O)[C@H](C)O5)N(C)C

InChI

InChIKey=MNZPHZWBCGOICS-ORRXYWJWSA-N
InChI=1S/C29H33NO10/c1-12-24(32)16(30(3)4)9-19(39-12)40-18-11-29(37,13(2)31)10-15-21(18)28(36)23-22(26(15)34)25(33)14-7-6-8-17(38-5)20(14)27(23)35/h6-8,12,16,18-19,24,32,34,36-37H,9-11H2,1-5H3/t12-,16-,18-,19-,24+,29-/m0/s1

HIDE SMILES / InChI

Molecular Formula C29H33NO10
Molecular Weight 555.573
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 6 / 6
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 08:02:09 GMT 2023
Edited
by admin
on Sat Dec 16 08:02:09 GMT 2023
Record UNII
Y9SQA9A5H4
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
N,N-DIMETHYLDAUNORUBICIN
Common Name English
5,12-Naphthacenedione, 8-acetyl-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-10-[[2,3,6-trideoxy-3-(dimethylamino)-α-L-lyxo-hexopyranosyl]oxy]-, (8S,10S)-
Systematic Name English
N,N-Dimethyldaunomycin
Common Name English
WP-742
Code English
(8S,10S)-8-Acetyl-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-10-[[2,3,6-trideoxy-3-(dimethylamino)-α-L-lyxo-hexopyranosyl]oxy]-5,12-naphthacenedione
Systematic Name English
5,12-Naphthacenedione, 8-acetyl-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-10-[[2,3,6-trideoxy-3-(dimethylamino)-α-L-lyxo-hexopyranosyl]oxy]-, (8S-cis)-
Systematic Name English
Code System Code Type Description
FDA UNII
Y9SQA9A5H4
Created by admin on Sat Dec 16 08:02:09 GMT 2023 , Edited by admin on Sat Dec 16 08:02:09 GMT 2023
PRIMARY
EPA CompTox
DTXSID801031795
Created by admin on Sat Dec 16 08:02:09 GMT 2023 , Edited by admin on Sat Dec 16 08:02:09 GMT 2023
PRIMARY
PUBCHEM
498158
Created by admin on Sat Dec 16 08:02:09 GMT 2023 , Edited by admin on Sat Dec 16 08:02:09 GMT 2023
PRIMARY
CAS
67508-87-6
Created by admin on Sat Dec 16 08:02:09 GMT 2023 , Edited by admin on Sat Dec 16 08:02:09 GMT 2023
PRIMARY
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