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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 of KRN-8602

SMILES

Cl.CC[C@@]1(O)C[C@H](O[C@H]2C[C@@H]([C@H](O)[C@H](C)O2)N3CCOCC3)C4=C(O)C5=C(C(=O)C6=CC=CC(O)=C6C5=O)C(O)=C4[C@H]1O

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 Wed Apr 02 08:30:02 GMT 2025
Edited
by admin
on Wed Apr 02 08:30:02 GMT 2025
Record UNII
O6O2BOE76A
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3'-DEAMINO-3'-MORPHOLINO-13-DEOXO-10-HYDROXYCARMINOMYCIN HYDROCHLORIDE
Preferred Name English
KRN-8602
Code English
(7S,9R,10R)-3'-DEAMINO-3'-(4-MORPHOLINYL)-13-DEOXO-10-HYDROXYCARMINOMYCIN HYDROCHLORIDE
Systematic 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 Wed Apr 02 08:30:02 GMT 2025 , Edited by admin on Wed Apr 02 08:30:02 GMT 2025
PRIMARY
EPA CompTox
DTXSID40927328
Created by admin on Wed Apr 02 08:30:02 GMT 2025 , Edited by admin on Wed Apr 02 08:30:02 GMT 2025
PRIMARY
CAS
131722-57-1
Created by admin on Wed Apr 02 08:30:02 GMT 2025 , Edited by admin on Wed Apr 02 08:30:02 GMT 2025
NON-SPECIFIC STEREOCHEMISTRY
PUBCHEM
9895329
Created by admin on Wed Apr 02 08:30:02 GMT 2025 , Edited by admin on Wed Apr 02 08:30:02 GMT 2025
PRIMARY
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ACTIVE MOIETY