ACLARUBICIN HYDROCHLORIDE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C42H53NO15.ClH
Molecular Weight	848.329
Optical Activity	UNSPECIFIED
Defined Stereocenters	13 / 13
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

Cl.[H][C@@]1(CCC(=O)[C@H](C)O1)O[C@H]2[C@@H](O)C[C@]([H])(O[C@@H]3[C@H](C)O[C@]([H])(C[C@@H]3N(C)C)O[C@H]4C[C@](O)(CC)[C@H](C(=O)OC)C5=CC6=C(C(=O)C7=C(O)C=CC=C7C6=O)C(O)=C45)O[C@H]2C

InChI

InChIKey=KUSMIBXCRZTVML-PCCPLWKKSA-N

InChI=1S/C42H53NO15.ClH/c1-8-42(51)17-28(33-22(35(42)41(50)52-7)14-23-34(38(33)49)37(48)32-21(36(23)47)10-9-11-26(32)45)56-30-15-24(43(5)6)39(19(3)54-30)58-31-16-27(46)40(20(4)55-31)57-29-13-12-25(44)18(2)53-29;/h9-11,14,18-20,24,27-31,35,39-40,45-46,49,51H,8,12-13,15-17H2,1-7H3;1H/t18-,19-,20-,24-,27-,28-,29-,30-,31-,35-,39+,40+,42+;/m0./s1

HIDE SMILES / InChI

Molecular Formula	C42H53NO15
Molecular Weight	811.8679
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	13 / 13
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 15:16:26 UTC 2023` Edited by `admin` on `Fri Dec 15 15:16:26 UTC 2023`
Record UNII	501948RI66
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ACLARUBICIN HYDROCHLORIDE

Common Name

English

ACLARUBICIN HYDROCHLORIDE [MART.]

Common Name

English

Aclarubicin hydrochloride [WHO-DD]

Common Name

English

ACLARUBICIN HYDROCHLORIDE [JAN]

Common Name

English

ACLACINOMYCIN A HYDROCHLORIDE

Common Name

English

ACLARUBICIN HCL

Common Name

English

Classification Tree Code System Code

NCI_THESAURUS

C987