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

Details

Stereochemistry ABSOLUTE
Molecular Formula C34H32N4O11
Molecular Weight 672.6381
Optical Activity UNSPECIFIED
Defined Stereocenters 6 / 6
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of N-(P-AZIDOBENZOYL)DAUNORUBICIN

SMILES

[H][C@@]1(C[C@H](NC(=O)C2=CC=C(C=C2)N=[N+]=[N-])[C@H](O)[C@H](C)O1)O[C@H]3C[C@@](O)(CC4=C(O)C5=C(C(=O)C6=C(OC)C=CC=C6C5=O)C(O)=C34)C(C)=O

InChI

InChIKey=DVFIKDMREBKLPZ-YXESSVHUSA-N
InChI=1S/C34H32N4O11/c1-14-28(40)20(36-33(45)16-7-9-17(10-8-16)37-38-35)11-23(48-14)49-22-13-34(46,15(2)39)12-19-25(22)32(44)27-26(30(19)42)29(41)18-5-4-6-21(47-3)24(18)31(27)43/h4-10,14,20,22-23,28,40,42,44,46H,11-13H2,1-3H3,(H,36,45)/t14-,20-,22-,23-,28+,34-/m0/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
N-(P-AZIDOBENZOYL)DAUNORUBICIN
Common Name English
NSC-372108
Code English
5,12-NAPHTHACENEDIONE, 8-ACETYL-10-((3-((4-AZIDOBENZOYL)AMINO)-2,3,6-TRIDEOXY-.ALPHA.-L-LYXO-HEXOPYRANOSYL)OXY)-7,8,9,10-TETRAHYDRO-6,8,11-TRIHYDROXY-1-METHOXY-, (8S-CIS)-
Systematic Name English
Code System Code Type Description
FDA UNII
4CZ6ER88NT
Created by admin on Sat Dec 16 18:47:28 GMT 2023 , Edited by admin on Sat Dec 16 18:47:28 GMT 2023
PRIMARY
CAS
103597-53-1
Created by admin on Sat Dec 16 18:47:28 GMT 2023 , Edited by admin on Sat Dec 16 18:47:28 GMT 2023
PRIMARY
PUBCHEM
21151155
Created by admin on Sat Dec 16 18:47:28 GMT 2023 , Edited by admin on Sat Dec 16 18:47:28 GMT 2023
PRIMARY
EPA CompTox
DTXSID60908492
Created by admin on Sat Dec 16 18:47:28 GMT 2023 , Edited by admin on Sat Dec 16 18:47:28 GMT 2023
PRIMARY
NSC
372108
Created by admin on Sat Dec 16 18:47:28 GMT 2023 , Edited by admin on Sat Dec 16 18:47:28 GMT 2023
PRIMARY