5-IMINODOXORUBICIN HYDROCHLORIDE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C27H30N2O10.ClH
Molecular Weight	578.995
Optical Activity	UNSPECIFIED
Defined Stereocenters	6 / 6
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 5-IMINODOXORUBICIN 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(=N)C5=C(OC)C=CC=C5C4=O)C(O)=C23)C(=O)CO

InChI

InChIKey=KHCRLBOOAMTXBC-POVKDHQYSA-N

InChI=1S/C27H30N2O10.ClH/c1-10-23(32)13(28)6-17(38-10)39-15-8-27(36,16(31)9-30)7-12-19(15)26(35)20-21(25(12)34)24(33)11-4-3-5-14(37-2)18(11)22(20)29;/h3-5,10,13,15,17,23,29-30,32,34-36H,6-9,28H2,1-2H3;1H/t10-,13-,15-,17-,23+,27-;/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	C27H30N2O10
Molecular Weight	542.5345
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 `Sat Dec 16 12:46:24 GMT 2023` Edited by `admin` on `Sat Dec 16 12:46:24 GMT 2023`
Record UNII	2D3L9PY8OV
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

5-IMINODOXORUBICIN HYDROCHLORIDE

Common Name

English

NSC-332988

Code

English

5(8H)-NAPHTHACENONE, 10-((3-AMINO-2,3,6-TRIDEOXY-.ALPHA.-L-LYXO-HEXOPYRANOSYL)OXY)-7,9,10,12-TETRAHYDRO-6,8,11-TRIHYDROXY-8-(HYDROXYACETYL)-12-IMINO-1-METHOXY-, MONOHYDROCHLORIDE, (8S-CIS)-

Systematic Name

English

5(8H)-NAPHTHACENONE, 10-((3-AMINO-2,3,6-TRIDEOXY-.ALPHA.-L-LYXO-HEXOPYRANOSYL)OXY)-7,9,10,12-TETRAHYDRO-6,8,11-TRIHYDROXY-8-(2-HYDROXYACETYL)-12-IMINO-1-METHOXY-, HYDROCHLORIDE (1:1), (8S,10S)-

Systematic Name

English

Code System Code Type Description

CAS

77331-69-2