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

Details

Stereochemistry ABSOLUTE
Molecular Formula C27H28INO10.ClH
Molecular Weight 689.877
Optical Activity UNSPECIFIED
Defined Stereocenters 6 / 6
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of IODODOXORUBICIN HYDROCHLORIDE

SMILES

Cl.[H][C@@]1(C[C@H](N)[C@H](I)[C@H](C)O1)O[C@H]2C[C@@](O)(CC3=C(O)C4=C(C(=O)C5=C(OC)C=CC=C5C4=O)C(O)=C23)C(=O)CO

InChI

InChIKey=RIXHOXYAFWQBGU-RUELKSSGSA-N
InChI=1S/C27H28INO10.ClH/c1-10-22(28)13(29)6-17(38-10)39-15-8-27(36,16(31)9-30)7-12-19(15)26(35)21-20(24(12)33)23(32)11-4-3-5-14(37-2)18(11)25(21)34;/h3-5,10,13,15,17,22,30,33,35-36H,6-9,29H2,1-2H3;1H/t10-,13-,15-,17-,22+,27-;/m0./s1

HIDE SMILES / InChI

Approval Year

Name Type Language
IODODOXORUBICIN HYDROCHLORIDE
Common Name English
IODODOXORUBICIN HCL
Common Name English
5,12-NAPHTHACENEDIONE, 10-(((2R,4S,5S,6S)-4-AMINOTETRAHYDRO-5-IODO-6-METHYL-2H-PYRAN-2-YL)OXY)-7,8,9,10-TETRAHYDRO-6,8,11-TRIHYDROXY-8-(HYDROXYACETYL)-1-METHOXY-, HYDROCHLORIDE, (8S,10S)-
Systematic Name English
4'-IODO-4'-DEOXYDOXORUBICIN HYDROCHLORIDE
Common Name English
NSC-378901
Code English
Code System Code Type Description
NSC
378901
Created by admin on Fri Dec 15 15:51:54 UTC 2023 , Edited by admin on Fri Dec 15 15:51:54 UTC 2023
PRIMARY
PUBCHEM
13189887
Created by admin on Fri Dec 15 15:51:54 UTC 2023 , Edited by admin on Fri Dec 15 15:51:54 UTC 2023
PRIMARY
CAS
83943-83-3
Created by admin on Fri Dec 15 15:51:54 UTC 2023 , Edited by admin on Fri Dec 15 15:51:54 UTC 2023
PRIMARY
EPA CompTox
DTXSID801004122
Created by admin on Fri Dec 15 15:51:54 UTC 2023 , Edited by admin on Fri Dec 15 15:51:54 UTC 2023
PRIMARY
FDA UNII
31I1O326SE
Created by admin on Fri Dec 15 15:51:54 UTC 2023 , Edited by admin on Fri Dec 15 15:51:54 UTC 2023
PRIMARY