ALDOXORUBICIN HYDROCHLORIDE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C37H42N4O13.ClH
Molecular Weight	787.209
Optical Activity	UNSPECIFIED
Defined Stereocenters	6 / 6
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure of ALDOXORUBICIN 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(\CO)=N\NC(=O)CCCCCN6C(=O)C=CC6=O

InChI

InChIKey=NGKHWQPYPXRQTM-UKFSEGPMSA-N

InChI=1S/C37H42N4O13.ClH/c1-17-32(46)20(38)13-27(53-17)54-22-15-37(51,23(16-42)39-40-24(43)9-4-3-5-12-41-25(44)10-11-26(41)45)14-19-29(22)36(50)31-30(34(19)48)33(47)18-7-6-8-21(52-2)28(18)35(31)49;/h6-8,10-11,17,20,22,27,32,42,46,48,50-51H,3-5,9,12-16,38H2,1-2H3,(H,40,43);1H/b39-23+;/t17-,20-,22-,27-,32+,37-;/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	C37H42N4O13
Molecular Weight	750.7484
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	6 / 6
E/Z Centers	1
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 06:22:43 UTC 2023` Edited by `admin` on `Sat Dec 16 06:22:43 UTC 2023`
Record UNII	S098K6HGD9
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ALDOXORUBICIN HYDROCHLORIDE

Official Name

English

INNO-206 HYDROCHLORIDE

Code

English

Aldoxorubicin hydrochloride [WHO-DD]

Common Name

English

ALDOXORUBICIN HYDROCHLORIDE [USAN]

Common Name

English

Classification Tree Code System Code

NCI_THESAURUS

C67502