![Chemical structure of (8S,10S)-10-{[(2R,4S,5R,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy}-6,8,11-trihydroxy-8-(2-hydroxyacetyl)-1-methoxy-5,7,8,9,10,12-hexahydrotetracene-5,12-dione, CAS 56420-45-2](https://api.angenesci.com/structure/2148/56420-45-2.png)
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| CAS Number | 56420-45-2 |
| Catalog Number | AG00IA2I(AGN-PC-0SLM1R) |
| Chemical Name | (8S,10S)-10-{[(2R,4S,5R,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy}-6,8,11-trihydroxy-8-(2-hydroxyacetyl)-1-methoxy-5,7,8,9,10,12-hexahydrotetracene-5,12-dione |
| IUPAC Name | (7S,9S)-7-[(2R,4S,5R,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-9-(2-hydroxyacetyl)-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione |
| InChI | InChI=1S/C27H29NO11/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/h3-5,10,13,15,17,22,29,31,33,35-36H,6-9,28H2,1-2H3/t10-,13-,15-,17-,22-,27-/m0/s1 |
| InChI Key | AOJJSUZBOXZQNB-VTZDEGQISA-N |
| MDL Number | MFCD00274554 |
| Molecular Formula | C27H29NO11 |
| Molecular Weight | 543.5193 |
| SMILES | N[C@H]1C[C@@H](O[C@H]([C@@H]1O)C)O[C@H]1C[C@@](CC=2C(=C3C(C=4C=CC=C(C4C(C3=C(C12)O)=O)OC)=O)O)(C(CO)=O)O |
| UNII | 3Z8479ZZ5X |
| Synonyms | 4' Epi Adriamycin,
4' Epi Doxorubicin,
4' Epi DXR,
4' Epiadriamycin,
4' Epidoxorubicin,
4'-Epi-Adriamycin,
4'-Epi-Doxorubicin,
4'-Epi-DXR,
4'-Epiadriamycin,
4'-Epidoxorubicin,
Ellence,
EPI cell,
EPI-cell,
EPIcell,
Epilem,
Epirubicin,
Epirubicin Hydrochloride,
Farmorubicin,
Farmorubicina,
Farmorubicine,
Hydrochloride, Epirubicin,
IMI 28,
IMI-28,
IMI28,
NSC 256942,
NSC-256942,
NSC256942,
Pharmorubicin,
Epirubicin,
56420-45-2,
Epiadriamycin,
Epidoxorubicin,
4'-Epiadriamycin,
Ellence,
4'-epidoxorubicin,
Epirubicina,
Epirubicine,
Epirubicinum,
Pidorubicina,
Pidorubicine,
Pidorubicinum,
Ridorubicin,
Epi-DX,
Epirubicine [French],
Epirubicinum [Latin],
4-Epidoxorubicin,
Epirubicina [Spanish],
IMI 28,
Epirubicine [INN-French],
Epirubicinum [INN-Latin],
Epirubicina [INN-Spanish],
Pidorubicine [INN-French],
Pidorubicinum [INN-Latin],
Pidorubicina [INN-Spanish],
Epirubicin [INN:BAN],
Farmorubicin,
4'-epi-Doxorubicin,
WP 697,
Pidorubicin,
UNII-3Z8479ZZ5X,
CCRIS 2261,
HSDB 6962,
NSC 256942,
BRN 1445813,
4'-epi-DX,
CHEBI:47898,
AOJJSUZBOXZQNB-VTZDEGQISA-N,
3Z8479ZZ5X,
4'-Epi-DXR,
Pharmorubicin Pfs,
(1S,3S)-3,5,12-trihydroxy-3-(hydroxyacetyl)-10-(methyloxy)-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 3-amino-2,3,6-trideoxy-alpha-L-arabino-hexopyranoside,
(7S,9S)-7-[(2R,4S,5R,6S)-4-amino-5-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-6,9,11-trihydroxy-9-(2-hydroxyacetyl)-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione,
5,12-Naphthacenedione, 10-((3-amino-2,3,6-trideoxy-beta-L-arabino-hexopyranosyl)oxy)-7,8,9,10-tetrahydro-6,8,11-trihydroxy-8-(hydroxyacetyl)-1-methoxy-, (8S-cis)-,
Epirubicin (INN),
Farmorubicin (TN),
NSC256942,
NSC-256942,
Acid, 8,
AC1Q6JIV,
CHEMBL417,
AC1L26NP,
SCHEMBL8582,
DTXSID0022987,
EPIRUBICIN(Hydrochloride form),
BDBM43839,
CTK8F9465,
Doxorubicin-13CD3 (discontinued),
ZINC3938704,
AKOS027327569,
CS-2824,
DB00445,
VA10821,
NCGC00263918-04,
(1S,3S)-3,5,12-trihydroxy-3-(hydroxyacetyl)-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 3-amino-2,3,6-trideoxy-alpha-L-arabino-hexopyranoside,
(7S,9R)-7-[(2S,4S,5R,6S)-4-Amino-5-hydroxy-6-methyl-oxan-2-yl]oxy-6,9,11-trihydroxy-9-(2-hydroxyacetyl)-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione,
(7S,9S)-7-[(2R,4S,5R,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-9-(2-hydroxyacetyl)-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione,
10-((3-amino-2,3,6-trideoxy-beta-L-arabino-hexopyranosyl)oxy)-7,8,9,10-tetrahydro-6,8,11-trihydroxy-8-(hydroxyacetyl)-1-methoxy-(8S-cis)-5,12-naphthacenedione,
5,12-Naphthacenedione, 10-((3-amino-2,3,6-trideoxy-alpha-L-arabino-hexopyranosyl)oxy)-7,8,9,10-tetrahydro-6,8,11-trihydroxy-8-(hydroxyacetyl)-1-methoxy-, (8S-cis)-,
AK326115,
AN-40147,
HY-13624,
LS-93992,
SBI-0206890.P001,
LS-187190,
FT-0630692,
A12409,
C11230,
D07901,
15206-EP2269994A1,
15206-EP2270008A1,
15206-EP2270018A1,
15206-EP2272827A1,
15206-EP2275420A1,
15206-EP2280012A2,
15206-EP2281815A1,
15206-EP2289892A1,
15206-EP2292615A1,
15206-EP2292617A1,
15206-EP2295055A2,
15206-EP2295416A2,
15206-EP2295426A1,
15206-EP2295427A1,
15206-EP2298748A2,
15206-EP2298764A1,
15206-EP2298765A1,
15206-EP2298768A1,
15206-EP2298778A1,
15206-EP2298780A1,
15206-EP2301928A1,
15206-EP2301933A1,
15206-EP2305640A2,
15206-EP2305642A2,
15206-EP2305671A1,
15206-EP2305689A1,
15206-EP2308855A1,
15206-EP2308861A1,
15206-EP2311453A1,
15206-EP2311808A1,
15206-EP2311825A1,
15206-EP2311827A1,
15206-EP2311829A1,
15206-EP2311840A1,
15206-EP2311842A2,
15206-EP2316832A1,
15206-EP2316833A1,
AB00698552-11,
AB00698552-13,
AB00698552-14,
AB00698552_15,
AB00698552_16,
A831042,
BRD-K04548931-003-16-5,
(7S,9S)-7-[(2R,4S,5R,6S)-4-azanyl-6-methyl-5-oxidanyl-oxan-2-yl]oxy-4-methoxy-6,9,11-tris(oxidanyl)-9-(2-oxidanylethanoyl)-8,10-dihydro-7H-tetracene-5,12-dione,
(7S,9S)-7-[[(2R,4S,5R,6S)-4-amino-5-hydroxy-6-methyl-2-oxanyl]oxy]-6,9,11-trihydroxy-9-(2-hydroxy-1-oxoethyl)-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione,
(8S,10S)-10-{[(2R,4S,5R,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy}-6,8,11-trihydroxy-8-(2-hydroxyacetyl)-1-methoxy-5,7,8,9,10,12-hexahydrotetracene-5,12-dione,
4'-Epidoxorubicin|||4'-Epiadriamycin|||(8S,10S)-10-(((2R,4S,5R,6S)-4-amino-5-hydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)-6,8,11-trihydroxy-8-(2-hydroxyacetyl)-1-methoxy-7,8,9,10-tetrahydrotetracene-5,12-dione,
5,12-Naphthacenedione, 10-[(3-amino-2,3,6-trideoxy-.alpha.-L-arabino-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-a-L-arabino-hexopyranosyl)oxy]-7,8,9,10-tetrahydro-6,8,11-trihydroxy-8-(hydroxyacetyl)-1-methoxy-, (8S,10S)-,
doxorubicin,
epirarubicin,
farmarubicin,
farmarubicine,
pharmarubicin,
Farmorubicina,
Farmorubicine,
Pharmorubicin,
Epilem,
Epirubicin HCl,
EPIcell,
Triferric doxorubicin,
4' Epiadriamycin,
EPI cell,
EPI-cell,
Epirubicin (TN),
Epirubicin hydrochloride,
4' Epidoxorubicin,
4'-epi-Adriamycin,
Ellence (TN),
4' Epi Adriamycin,
Pharmorubicin (TN),
4' Epi Doxorubicin,
Ebewe (TN),
Hydrochloride, Epirubicin,
4' Epi DXR,
D0C9XJ,
IMI-28,
IMI28,
C27H29NO11,
CID41867,
C27-H29-N-O11,
ACN-038342,
CS-O-01481,
2020B,
D015251,
23214-92-8,
5,12-Naphthacenedione, 10-[(3-amino-2,3,6-trideoxy-.alpha.-L-arabino-hexopyranosyl)oxy]-7,8,9,10-tetrahydro-6,8,11-trihydroxy-8-(hydroxyacetyl)-1-methoxy-, (8S,10S)-,
5,12-Naphthacenedione, 10-[(3-amino-2,3,6-trideoxy-.beta.-L-arabino-hexopyranosyl)oxy]-7,8,9,10-tetrahydro-6,8,11-trihydroxy-8-(hydroxyacetyl)-1-methoxy-, (8S-cis)-,
56390-09-1,
DM2,
DM6,
|
| Complexity | 977 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 6 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 543.174g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 39 |
| Hydrogen Bond Acceptor Count | 12 |
| Hydrogen Bond Donor Count | 6 |
| Isotope Atom Count | 0 |
| Molecular Weight | 543.525g/mol |
| Monoisotopic Mass | 543.174g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 206A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
| Symbol: | |
| Hazard statements | |
| Precautionary statements | |
| Chemical Name: | Batch Number: | |
| Chemical Structure: | CAS Registry No: | |
| Product ID: | ||
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| Test: | Result: |

