MetaADEDB 2.0 @ LMMD
pirarubicin
(KMSKQZKKOZQFFG-HSUXVGOQSA-N)
Structure
SMILES
OCC(=O)[C@@]1(O)C[C@H](O[C@H]2C[C@H](N)[C@@H]([C@@H](O2)C)O[C@H]2CCCCO2)c2c(C1)c(O)c1c(c2O)C(=O)c2c(C1=O)cccc2OC
Molecular Formula:
C32H37NO12
Molecular Weight:
627.636
Log P:
2.2525
Hydrogen Bond Acceptor:
13
Hydrogen Bond Donor:
5
TPSA:
204.3
CAS Number(s):
72496-41-4
Synonym(s)
1.
pirarubicin
2.
4'-O-tetrahydropyranyladriamycin
3.
4'-O-tetrahydropyranyldoxorubicin
4.
4'-O-tetrapyranyldoxorubicin
5.
THP-ADM
6.
THP-DOX
7.
THP-adriamycin
8.
THP-doxorubicin
9.
Theprubicin
10.
Théprubicine
11.
pirarubicin hydrochloride
12.
thepirubicin
13.
therarubicin
External Link(s)
MeSHC027260
PubChem Compound636397
ChEBI32011
CHEMBLCHEMBL1398373
KEGGdr:D01885
ZINC3913909
Adverse Drug Event(s)
Powered by :

Page last updated at 2020-05-25 10:01:57 (Asia/Shanghai) | You are visitor No. 120239

Copyright © 2019-2020 Laboratory of Molecular Modeling and Design, Shanghai Key Laboratory of New Drug Design, School of Pharmacy, East China University of Science and Technology. All rights reserved.