Chelist Moleculee
JRC CODE:JRC-000784
cas:23214-92-8
einecs:245-495-6
smiles:COc1cccc2C(=O)c3c(O)c4C[C@](O)(C[C@H](O[C@H]5C[C@H](N)[C@H](O)[C@H](C)O5)c4c(O)c3C(=O)c12)C(=O)CO
name:Adriamycin [AKA doxorubicin]
MW:543.5193
formula:C27H29NO11
InChi:
InChiKey:
SMARTS:
Other names
Doxorubicin
5,12-Naphthacenedione, 10-[(3-amino-2,3,6-trideoxy-�-lyxo-hexopyranosyl)oxy]-7,8,9,10-tetrahydro-6,8,11-trihydroxy-8-(2-hydroxyacetyl)-1-methoxy-, (8S,10S)-
5,12-Naphthacenedione, 10-[(3-amino-2,3,6-trideoxy-�-lyxo-hexopyranosyl)oxy]-7,8,9,10-tetrahydro-6,8,11-trihydroxy-8-(hydroxyacetyl)-1-methoxy-, (8S,10S)- (9CI)
5,12-Naphthacenedione, 10-[(3-amino-2,3,6-trideoxy-�-lyxo-hexopyranosyl)oxy]-7,8,9,10-tetrahydro-6,8,11-trihydroxy-8-(hydroxyacetyl)-1-methoxy-, (8S-cis)-
(7S,9S)-7-[(2R,4S,5S,6S)-4-Amino-5-hydroxy-6-methyloxan-2-yl]oxy-6,9,1 1-trihydroxy-9-(2-hydroxyacetyl)-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione
14-Hydroxydaunomycin
Biotransdox
Caelyx
Doxil
Doxorubicin
Evacet
Hydroxydaunomycin
Hydroxydaunorubicin
NSC 123127
PK 2
Rubex
Rubidox

Search by similarity
Tanimoto index:
The algorithm applies nearest neighbor searching that finds molecules similar to the query object. The calculation applies the Tanimoto (or Jaccard) coefficient that is calculated by the following formula in the case of binary fingerprint (bit string) input: T(A,B) = NA&B/(NA+NB-NA&B) where NA and NB are the number of bits set in the bit strings of molecules A and B, respectively, NA&B is the number of bits that are set in both.

Inventory List where this chemical is present

REACH PRS (143835): ECHA list of pre-registered substances (Regulatory)
FP6 ReProTect (133): Test chemicals used for the development of in vitro tests within the FP6 project .ReProTect (EU Research Projects)
SEURAT-1 GC (19): SEURAT-1 Gold Compounds (EU Research Projects)
ESNATS (56): Compound selection for in vitro modeling of developmental neurotoxicity (EU Research Projects)
ECVAMes_Positives List (723): ECVAM Ames Positives List: EURL ECVAM Genotoxicity and Carcinogenicity Database of Ames Positive Chemicals (JRC Projects)