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

Details

Stereochemistry ABSOLUTE
Molecular Formula C27H29NO10.ClH
Molecular Weight 563.981
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ESORUBICIN HYDROCHLORIDE

SMILES

Cl.[H][C@@]1(C[C@H](N)C[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=RCFNNLSZHVHCEK-YGCMNLPTSA-N
InChI=1S/C27H29NO10.ClH/c1-11-6-12(28)7-18(37-11)38-16-9-27(35,17(30)10-29)8-14-20(16)26(34)22-21(24(14)32)23(31)13-4-3-5-15(36-2)19(13)25(22)33;/h3-5,11-12,16,18,29,32,34-35H,6-10,28H2,1-2H3;1H/t11-,12+,16-,18-,27-;/m0./s1

HIDE SMILES / InChI

Approval Year

Name Type Language
ESORUBICIN HYDROCHLORIDE
USAN   WHO-DD  
USAN  
Official Name English
IMI 58
Code English
(8S,10S)-10-[[(2S,4R,6S)-4-Aminotetrahydro-6-methyl-2H-pyran-2-yl]oxy]-8-glycoloyl-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-5,12-naphthacenedione hydrochloride
Systematic Name English
ESORUBICIN HYDROCHLORIDE [USAN]
Common Name English
NSC-267469
Code English
IMI-58
Code English
5,12-NAPHTHACENEDIONE, 10-((4-AMINOTETRAHYDRO-6-METHYL-2H-PYRAN-2-YL)OXY)-7,8,9,10-TETRAHYDRO-6,8,11-TRIHYDROXY-8-(HYDROXYACETYL)-1-METHOXY-, HYDROCHLORIDE, (2S-(2.ALPHA,(8R*,10R*),4.BETA.,6.BETA))-
Common Name English
Esorubicin hydrochloride [WHO-DD]
Common Name English
ESORUBICIN HCL
Common Name English
4'-DEOXYADRIAMYCIN HYDROCHLORIDE
Common Name English
Classification Tree Code System Code
NCI_THESAURUS C1594
Created by admin on Fri Dec 15 15:07:13 UTC 2023 , Edited by admin on Fri Dec 15 15:07:13 UTC 2023
Code System Code Type Description
ECHA (EC/EINECS)
264-575-1
Created by admin on Fri Dec 15 15:07:13 UTC 2023 , Edited by admin on Fri Dec 15 15:07:13 UTC 2023
PRIMARY
EPA CompTox
DTXSID90213783
Created by admin on Fri Dec 15 15:07:13 UTC 2023 , Edited by admin on Fri Dec 15 15:07:13 UTC 2023
PRIMARY
ChEMBL
CHEMBL515668
Created by admin on Fri Dec 15 15:07:13 UTC 2023 , Edited by admin on Fri Dec 15 15:07:13 UTC 2023
PRIMARY
FDA UNII
2UB1JJT82D
Created by admin on Fri Dec 15 15:07:13 UTC 2023 , Edited by admin on Fri Dec 15 15:07:13 UTC 2023
PRIMARY
NCI_THESAURUS
C74943
Created by admin on Fri Dec 15 15:07:13 UTC 2023 , Edited by admin on Fri Dec 15 15:07:13 UTC 2023
PRIMARY
USAN
X-48
Created by admin on Fri Dec 15 15:07:13 UTC 2023 , Edited by admin on Fri Dec 15 15:07:13 UTC 2023
PRIMARY
CAS
63950-06-1
Created by admin on Fri Dec 15 15:07:13 UTC 2023 , Edited by admin on Fri Dec 15 15:07:13 UTC 2023
PRIMARY
NSC
267469
Created by admin on Fri Dec 15 15:07:13 UTC 2023 , Edited by admin on Fri Dec 15 15:07:13 UTC 2023
PRIMARY
PUBCHEM
152035
Created by admin on Fri Dec 15 15:07:13 UTC 2023 , Edited by admin on Fri Dec 15 15:07:13 UTC 2023
PRIMARY