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

Details

Stereochemistry ABSOLUTE
Molecular Formula C27H29NO11.C6H8O7
Molecular Weight 735.6428
Optical Activity UNSPECIFIED
Defined Stereocenters 6 / 6
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DOXORUBICIN CITRATE

SMILES

OC(=O)CC(O)(CC(O)=O)C(O)=O.[H][C@@]1(C[C@H](N)[C@H](O)[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=INEKNBHAPBIAFK-RUELKSSGSA-N
InChI=1S/C27H29NO11.C6H8O7/c1-10-22(31)13(28)6-17(38-10)39-15-8-27(36,16(30)9-29)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;7-3(8)1-6(13,5(11)12)2-4(9)10/h3-5,10,13,15,17,22,29,31,33,35-36H,6-9,28H2,1-2H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/t10-,13-,15-,17-,22+,27-;/m0./s1

HIDE SMILES / InChI

Approval Year

Name Type Language
DOXORUBICIN CITRATE
Common Name English
MYOCET
Brand Name English
5,12-NAPHTHACENEDIONE, 10-((3-AMINO-2,3,6-TRIDEOXY-.ALPHA.-L-LYXO-HEXOPYRANOSYL)OXY)-7,8,9,10-TETRAHYDRO-6,8,11-TRIHYDROXY-8-(2-HYDROXYACETYL)-1-METHOXY-, (8S,10S)-, 2-HYDROXY-1,2,3-PROPANETRICARBOXYLATE
Systematic Name English
DOXORUBICIN LIPOSOMAL COMPLEX OF THE CITRATE [MI]
Common Name English
DOXORUBICIN CITRIC ACID SALT
Common Name English
Doxorubicin citrate [WHO-DD]
Common Name English
Code System Code Type Description
SMS_ID
100000141658
Created by admin on Sat Dec 16 09:41:08 UTC 2023 , Edited by admin on Sat Dec 16 09:41:08 UTC 2023
PRIMARY
MERCK INDEX
m4757
Created by admin on Sat Dec 16 09:41:08 UTC 2023 , Edited by admin on Sat Dec 16 09:41:08 UTC 2023
PRIMARY Merck Index
CAS
111266-55-8
Created by admin on Sat Dec 16 09:41:08 UTC 2023 , Edited by admin on Sat Dec 16 09:41:08 UTC 2023
PRIMARY
EVMPD
SUB96038
Created by admin on Sat Dec 16 09:41:08 UTC 2023 , Edited by admin on Sat Dec 16 09:41:08 UTC 2023
PRIMARY
PUBCHEM
50925403
Created by admin on Sat Dec 16 09:41:08 UTC 2023 , Edited by admin on Sat Dec 16 09:41:08 UTC 2023
PRIMARY
FDA UNII
AJQ2ZNG2WL
Created by admin on Sat Dec 16 09:41:08 UTC 2023 , Edited by admin on Sat Dec 16 09:41:08 UTC 2023
PRIMARY
DRUG BANK
DBSALT002287
Created by admin on Sat Dec 16 09:41:08 UTC 2023 , Edited by admin on Sat Dec 16 09:41:08 UTC 2023
PRIMARY
NCI_THESAURUS
C61317
Created by admin on Sat Dec 16 09:41:08 UTC 2023 , Edited by admin on Sat Dec 16 09:41:08 UTC 2023
PRIMARY