5-IMINODAUNORUBICIN

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C27H30N2O9
Molecular Weight	526.5351
Optical Activity	UNSPECIFIED
Defined Stereocenters	6 / 6
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

COC1=CC=CC2=C1C(=N)C3=C(C2=O)C(O)=C4C[C@](O)(C[C@H](O[C@H]5C[C@H](N)[C@H](O)[C@H](C)O5)C4=C3O)C(C)=O

InChI

InChIKey=BLLIIPIJZPKUEG-HPTNQIKVSA-N

InChI=1S/C27H30N2O9/c1-10-23(31)14(28)7-17(37-10)38-16-9-27(35,11(2)30)8-13-19(16)26(34)20-21(25(13)33)24(32)12-5-4-6-15(36-3)18(12)22(20)29/h4-6,10,14,16-17,23,29,31,33-35H,7-9,28H2,1-3H3/t10-,14-,16-,17-,23+,27-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C27H30N2O9
Molecular Weight	526.5351
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	6 / 6
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 22:28:45 GMT 2025` Edited by `admin` on `Mon Mar 31 22:28:45 GMT 2025`
Record UNII	P910685S6G
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

NSC-254681

Preferred Name

English

5-IMINODAUNORUBICIN

Common Name

English

5-IMINODAUNOMYCIN

Common Name

English

(8S,10S)-8-ACETYL-10-((3-AMINO-2,3,6-TRIDEOXY-.ALPHA.-L-LYXO-HEXOPYRANOSYL)OXY)-7,9,10,12-TETRAHYDRO-6,8,11-TRIHYDROXY-12-IMINO-1-METHOXY-5(8H)-NAPHTHACENONE

Systematic Name

English

5(8H)-NAPHTHACENONE, 8-ACETYL-10-((3-AMINO-2,3,6-TRIDEOXY-.ALPHA.-L-LYXO-HEXOPYRANOSYL)OXY)-7,9,10,12-TETRAHYDRO-6,8,11-TRIHYDROXY-12-IMINO-1-METHOXY-, (8S,10S)-

Systematic Name

English

Code System Code Type Description

PUBCHEM

72400