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Details

Stereochemistry ABSOLUTE
Molecular Formula C30H35NO11
Molecular Weight 585.599
Optical Activity UNSPECIFIED
Defined Stereocenters 7 / 7
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of KRN-8602 FREE BASE

SMILES

[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=OPBPMGYBSDKJBT-DQHLZUIQSA-N
InChI=1S/C30H35NO11/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/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

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 08:39:20 GMT 2023
Edited
by admin
on Sat Dec 16 08:39:20 GMT 2023
Record UNII
G0J883CJ9M
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
KRN-8602 FREE BASE
Common Name English
MORPHOLINYL OXAUNOMYCIN
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)-.ALPHA.-L-LYXO-HEXOPYRANOSYL)OXY)-, (7R,8R,10S)
Systematic Name English
KRN 8602 FREE BASE
Common Name English
3'-DEAMINO-3'-MORPHOLINO-13-DEOXO-10-HYDROXYCARMINOMYCIN
Common Name English
(7S,9R,10R)-3'-DEAMINO-3'-(4-MORPHOLINYL)-13-DEOXO-10-HYDROXYCARMINOMYCIN
Systematic Name English
Code System Code Type Description
CAS
105026-50-4
Created by admin on Sat Dec 16 08:39:20 GMT 2023 , Edited by admin on Sat Dec 16 08:39:20 GMT 2023
PRIMARY
FDA UNII
G0J883CJ9M
Created by admin on Sat Dec 16 08:39:20 GMT 2023 , Edited by admin on Sat Dec 16 08:39:20 GMT 2023
PRIMARY
EPA CompTox
DTXSID40909301
Created by admin on Sat Dec 16 08:39:20 GMT 2023 , Edited by admin on Sat Dec 16 08:39:20 GMT 2023
PRIMARY
PUBCHEM
6917994
Created by admin on Sat Dec 16 08:39:20 GMT 2023 , Edited by admin on Sat Dec 16 08:39:20 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> DERIVATIVE
SALT/SOLVATE -> PARENT
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ACTIVE MOIETY