13-DEOXYDOXORUBICIN HYDROCHLORIDE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C27H31NO10.ClH
Molecular Weight	565.997
Optical Activity	UNSPECIFIED
Defined Stereocenters	6 / 6
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 13-DEOXYDOXORUBICIN HYDROCHLORIDE

Structure Search

SMILES

Cl.[H][C@@]1(C[C@](O)(CCO)CC2=C(O)C3=C(C(=O)C4=C(C=CC=C4OC)C3=O)C(O)=C12)O[C@H]5C[C@H](N)[C@H](O)[C@H](C)O5

InChI

InChIKey=YZSQITAPLDJGKS-RYQLBYGJSA-N

InChI=1S/C27H31NO10.ClH/c1-11-22(30)14(28)8-17(37-11)38-16-10-27(35,6-7-29)9-13-19(16)26(34)21-20(24(13)32)23(31)12-4-3-5-15(36-2)18(12)25(21)33;/h3-5,11,14,16-17,22,29-30,32,34-35H,6-10,28H2,1-2H3;1H/t11-,14-,16-,17-,22+,27-;/m0./s1

HIDE SMILES / InChI

Molecular Formula	C27H31NO10
Molecular Weight	529.5357
Charge	0
Count

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

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

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 15:42:16 UTC 2023` Edited by `admin` on `Fri Dec 15 15:42:16 UTC 2023`
Record UNII	L6ZON4CT5F
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

13-DEOXYDOXORUBICIN HYDROCHLORIDE

Common Name

English

GPX-100 HYDROCHLORIDE

Code

English

(7S,9R)-7-((2R,4S,5S,6S)-4-AMINO-5-HYDROXY-6-METHYL-TETRAHYDROPYRAN-2-YL)OXY-6,9,11-TRIHYDROXY-9-(2-HYDROXYETHYL)-4-METHOXY-8,10-DIHYDRO-7H-TETRACENE-5,12-DIONE HYDROCHLORIDE

Systematic Name

English

13-DEOXYADRIAMYCIN HYDROCHLORIDE

Common Name

English

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

Systematic Name

English

NSC-273427

Code

English

GPX-100-

Code

English

Code System Code Type Description

EPA CompTox

DTXSID20639038