DOXORUBICINOL HYDROCHLORIDE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C27H31NO11.ClH
Molecular Weight	581.996
Optical Activity	UNSPECIFIED
Defined Stereocenters	7 / 7
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of DOXORUBICINOL HYDROCHLORIDE

Structure Search

SMILES

Cl.[H][C@@]1(C[C@H](N)[C@H](O)[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@@H](O)CO

InChI

InChIKey=ORLHIGGRLIJIIM-PNOIAXSSSA-N

InChI=1S/C27H31NO11.ClH/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;1H/t10-,13-,15-,16-,17-,22+,27-;/m0./s1

HIDE SMILES / InChI

Molecular Formula	ClH
Molecular Weight	36.461
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Molecular Formula	C27H31NO11
Molecular Weight	545.5351
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	7 / 7
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 09:40:12 UTC 2023` Edited by `admin` on `Sat Dec 16 09:40:12 UTC 2023`
Record UNII	9LVW1H75S7
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

DOXORUBICINOL HYDROCHLORIDE

Common Name

English

NSC-268710

Code

English

5,12-NAPHTHACENEDIONE, 10-((3-AMINO-2,3,6-TRIDEOXY-.ALPHA.-L-LYXO-HEXOPYRANOSYL)OXY)-8-(1,2-DIHYDROXYETHYL)-7,8,9,10-TETRAHYDRO-6,8,11-TRIHYDROXY-1-METHOXY-, HYDROCHLORIDE, (8S-(8.ALPHA.,8(R*),10.ALPHA.))-

Systematic Name

English

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

Systematic Name

English

13-DIHYDROADRIAMYCIN HYDROCHLORIDE

Common Name

English

NSC-268238

Code

English

Code System Code Type Description

PUBCHEM

152413