DETORUBICIN HYDROCHLORIDE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C33H39NO14.ClH
Molecular Weight	710.122
Optical Activity	UNSPECIFIED
Defined Stereocenters	6 / 6
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

Cl.[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)COC(=O)C(OCC)OCC)O[C@H]5C[C@H](N)[C@H](O)[C@H](C)O5

InChI

InChIKey=PJODMULXZJQLDJ-NMELVCTCSA-N

InChI=1S/C33H39NO14.ClH/c1-5-44-32(45-6-2)31(41)46-13-20(35)33(42)11-16-23(19(12-33)48-21-10-17(34)26(36)14(3)47-21)30(40)25-24(28(16)38)27(37)15-8-7-9-18(43-4)22(15)29(25)39;/h7-9,14,17,19,21,26,32,36,38,40,42H,5-6,10-13,34H2,1-4H3;1H/t14-,17-,19-,21-,26+,33-;/m0./s1

HIDE SMILES / InChI

Molecular Formula	C33H39NO14
Molecular Weight	673.6611
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 `Sat Dec 16 05:00:13 UTC 2023` Edited by `admin` on `Sat Dec 16 05:00:13 UTC 2023`
Record UNII	XMI0YV2GFR
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

DETORUBICIN HYDROCHLORIDE

Common Name

English

ACETIC ACID, DIETHOXY-, 2-(4-((3-AMINO-2,3,6-TRIDEOXY-.ALPHA.-L-LYXO-HEXOPYRANOSYL)OXY)-1,2,3,4,6,11-HEXAHYDRO-2,5,12-TRIHYDROXY-7-METHOXY-6,11-DIOXO-2-NAPHTHACENYL)-2-OXOETHYL ESTER, HYDROCHLORIDE, (2S-CIS)-

Systematic Name

English

NSC-292652

Code

English

Code System Code Type Description

FDA UNII

XMI0YV2GFR