N,N-Dimethyldaunorubicin hydrochloride

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C29H33NO10.ClH
Molecular Weight	592.034
Optical Activity	UNSPECIFIED
Defined Stereocenters	6 / 6
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of N,N-Dimethyldaunorubicin hydrochloride

Structure Search

SMILES

Cl.COC1=C2C(=O)C3=C(C(=O)C2=CC=C1)C(O)=C4C[C@](O)(C[C@H](O[C@H]5C[C@@H]([C@H](O)[C@H](C)O5)N(C)C)C4=C3O)C(C)=O

InChI

InChIKey=LXUULYQZJJTFOD-FVSQGFDJSA-N

InChI=1S/C29H33NO10.ClH/c1-12-24(32)16(30(3)4)9-19(39-12)40-18-11-29(37,13(2)31)10-15-21(18)28(36)23-22(26(15)34)25(33)14-7-6-8-17(38-5)20(14)27(23)35;/h6-8,12,16,18-19,24,32,34,36-37H,9-11H2,1-5H3;1H/t12-,16-,18-,19-,24+,29-;/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	C29H33NO10
Molecular Weight	555.573
Charge	0
Count

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

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 14:04:12 GMT 2025` Edited by `admin` on `Wed Apr 02 14:04:12 GMT 2025`
Record UNII	R87XR7GXU8
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

NSC-258812

Preferred Name

English

N,N-Dimethyldaunorubicin hydrochloride

Common Name

English

5,12-Naphthacenedione, 8-acetyl-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-10-[[2,3,6-trideoxy-3-(dimethylamino)-?-L-lyxo-hexopyranosyl]oxy]-, hydrochloride (1:1), (8S,10S)-

Systematic Name

English

5,12-Naphthacenedione, 8-acetyl-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-10-[[2,3,6-trideoxy-3-(dimethylamino)-?-L-lyxo-hexopyranosyl]oxy]-, hydrochloride, (8S-cis)-

Systematic Name

English

N,N-Dimethyldaunomycin hydrochloride

Common Name

English

Code System Code Type Description

FDA UNII

R87XR7GXU8