KRN-8602

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C30H35NO11.ClH
Molecular Weight	622.06
Optical Activity	UNSPECIFIED
Defined Stereocenters	7 / 7
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

Cl.[H][C@@]1(C[C@@H]([C@H](O)[C@H](C)O1)N2CCOCC2)O[C@H]3C[C@](O)(CC)[C@H](O)C4=C3C(O)=C5C(=O)C6=C(O)C=CC=C6C(=O)C5=C4O

InChI

InChIKey=ZDJRSUWWMAYYID-ZXHXBDCOSA-N

InChI=1S/C30H35NO11.ClH/c1-3-30(39)12-17(42-18-11-15(24(33)13(2)41-18)31-7-9-40-10-8-31)20-23(29(30)38)28(37)21-22(27(20)36)26(35)19-14(25(21)34)5-4-6-16(19)32;/h4-6,13,15,17-18,24,29,32-33,36-39H,3,7-12H2,1-2H3;1H/t13-,15-,17-,18-,24+,29+,30+;/m0./s1

HIDE SMILES / InChI

Molecular Formula	C30H35NO11
Molecular Weight	585.599
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	7 / 7
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 16:53:56 GMT 2023` Edited by `admin` on `Sat Dec 16 16:53:56 GMT 2023`
Record UNII	O6O2BOE76A
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

KRN-8602

Code

English

(7S,9R,10R)-3'-DEAMINO-3'-(4-MORPHOLINYL)-13-DEOXO-10-HYDROXYCARMINOMYCIN HYDROCHLORIDE

Systematic Name

English

3'-DEAMINO-3'-MORPHOLINO-13-DEOXO-10-HYDROXYCARMINOMYCIN HYDROCHLORIDE

Common Name

English

5,12-NAPHTHACENEDIONE, 8-ETHYL-7,8,9,10-TETRAHYDRO-1,6,7,8,11-PENTAHYDROXY-10-((2,3,6-TRIDEOXY-3-(4-MORPHOLINYL)HEXOPYRANOSYL)OXY)-, HYDROCHLORIDE (1:1), (7R,8R,10S)-

Systematic Name

English

MORPHOLINYL OXAUNOMYCIN HYDROCHLORIDE

Common Name

English

Code System Code Type Description

FDA UNII

O6O2BOE76A

Created by admin on Sat Dec 16 16:53:56 GMT 2023 , Edited by admin on Sat Dec 16 16:53:56 GMT 2023

PRIMARY

EPA CompTox

DTXSID40927328

Created by admin on Sat Dec 16 16:53:56 GMT 2023 , Edited by admin on Sat Dec 16 16:53:56 GMT 2023

PRIMARY

CAS

131722-57-1

Created by admin on Sat Dec 16 16:53:56 GMT 2023 , Edited by admin on Sat Dec 16 16:53:56 GMT 2023

NON-SPECIFIC STEREOCHEMISTRY

PUBCHEM

9895329

Created by admin on Sat Dec 16 16:53:56 GMT 2023 , Edited by admin on Sat Dec 16 16:53:56 GMT 2023

PRIMARY

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