ESORUBICIN

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C27H29NO10
Molecular Weight	527.5199
Optical Activity	UNSPECIFIED
Defined Stereocenters	5 / 5
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[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=ITSGNOIFAJAQHJ-BMFNZSJVSA-N

InChI=1S/C27H29NO10/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/t11-,12+,16-,18-,27-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C27H29NO10
Molecular Weight	527.5199
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	5 / 5
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 16:06:45 UTC 2023` Edited by `admin` on `Fri Dec 15 16:06:45 UTC 2023`
Record UNII	RMC41L2WQ3
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ESORUBICIN

Official Name

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

Systematic Name

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-, (2S-(2.ALPHA,(8R*,10R*),4.BETA.,6.BETA))-

Common Name

English

esorubicin [INN]

Common Name

English

Esorubicin [WHO-DD]

Common Name

English

Classification Tree Code System Code

NCI_THESAURUS

C1594