BERUBICIN

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C34H35NO11
Molecular Weight	633.6418
Optical Activity	UNSPECIFIED
Defined Stereocenters	6 / 6
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@@]1(C[C@@](O)(CC2=C(O)C3=C(C(=O)C4=C(C=CC=C4OC)C3=O)C(O)=C12)C(=O)CO)O[C@H]5C[C@H](N)[C@H](OCC6=CC=CC=C6)[C@H](C)O5

InChI

InChIKey=FIGNGSHKNAHTSH-JJMFXPFOSA-N

InChI=1S/C34H35NO11/c1-16-33(44-15-17-7-4-3-5-8-17)20(35)11-24(45-16)46-22-13-34(42,23(37)14-36)12-19-26(22)32(41)28-27(30(19)39)29(38)18-9-6-10-21(43-2)25(18)31(28)40/h3-10,16,20,22,24,33,36,39,41-42H,11-15,35H2,1-2H3/t16-,20-,22-,24-,33+,34-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C34H35NO11
Molecular Weight	633.6418
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 `Fri Dec 15 16:06:13 UTC 2023` Edited by `admin` on `Fri Dec 15 16:06:13 UTC 2023`
Record UNII	6QPN83HK2M
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

BERUBICIN

Official Name

English

Berubicin [WHO-DD]

Common Name

English

5,12-NAPHTHACENEDIONE, 10-((3-AMINO-2,3,6-TRIDEOXY-4-O-(PHENYLMETHYL)-.ALPHA.-L-LYXO-HEXOPYRANOSYL)OXY)-7,8,9,10-TETRAHYDRO-6,8,11-TRIHYDROXY-8-(HYDROXYACETYL)-1-METHOXY-, (8S,10S)-

Common Name

English

berubicin [INN]

Common Name

English

(8S,10S)-10-((3-AMINO-4-O-BENZYL-2,3,6-TRIDEOXY-A-L-LYXO-HEXOPYRANOSYL)OXY)-6,8,11-TRIHYDROXY-8-(HYDROXYACETYL)-1-METHOXY-7,8,9,10-TETRAHYDROTETRACENE-5,12-DIONE

Common Name

English

Classification Tree Code System Code

FDA ORPHAN DRUG

748420