5-IMINODOXORUBICIN

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C27H30N2O10
Molecular Weight	542.5345
Optical Activity	UNSPECIFIED
Defined Stereocenters	6 / 6
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

COC1=C2C(=N)C3=C(O)C4=C(C[C@](O)(C[C@@H]4O[C@H]5C[C@H](N)[C@H](O)[C@H](C)O5)C(=O)CO)C(O)=C3C(=O)C2=CC=C1

InChI

InChIKey=UNNWAMSRSUVXCZ-PNISCQLKSA-N

InChI=1S/C27H30N2O10/c1-10-23(32)13(28)6-17(38-10)39-15-8-27(36,16(31)9-30)7-12-19(15)26(35)20-21(25(12)34)24(33)11-4-3-5-14(37-2)18(11)22(20)29/h3-5,10,13,15,17,23,29-30,32,34-36H,6-9,28H2,1-2H3/t10-,13-,15-,17-,23+,27-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C27H30N2O10
Molecular Weight	542.5345
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 `Tue Apr 01 19:55:47 GMT 2025` Edited by `admin` on `Tue Apr 01 19:55:47 GMT 2025`
Record UNII	7W3RB6E22W
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

5-IMINODOXORUBICIN

Common Name

English

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

Preferred Name

English

Code System Code Type Description

PUBCHEM

135546259

Created by admin on Tue Apr 01 19:55:47 GMT 2025 , Edited by admin on Tue Apr 01 19:55:47 GMT 2025

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FDA UNII

7W3RB6E22W

Created by admin on Tue Apr 01 19:55:47 GMT 2025 , Edited by admin on Tue Apr 01 19:55:47 GMT 2025

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CAS