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Details

Stereochemistry ABSOLUTE
Molecular Formula C31H35NO12
Molecular Weight 613.6091
Optical Activity UNSPECIFIED
Defined Stereocenters 6 / 6
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of MORPHOLINODOXORUBICIN

SMILES

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)N6CCOCC6)C4=C3O)C(=O)CO

InChI

InChIKey=SXCIMUIAZXOVIR-PUCKCBAPSA-N
InChI=1S/C31H35NO12/c1-14-26(35)17(32-6-8-42-9-7-32)10-21(43-14)44-19-12-31(40,20(34)13-33)11-16-23(19)30(39)25-24(28(16)37)27(36)15-4-3-5-18(41-2)22(15)29(25)38/h3-5,14,17,19,21,26,33,35,37,39-40H,6-13H2,1-2H3/t14-,17-,19-,21-,26+,31-/m0/s1

HIDE SMILES / InChI

Molecular Formula C31H35NO12
Molecular Weight 613.6091
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 Tue Apr 01 19:43:01 GMT 2025
Edited
by admin
on Tue Apr 01 19:43:01 GMT 2025
Record UNII
X0N4EFN4AI
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
MORPHOLINODOXORUBICIN
Preferred Name English
Classification Tree Code System Code
NCI_THESAURUS C1594
Created by admin on Tue Apr 01 19:43:01 GMT 2025 , Edited by admin on Tue Apr 01 19:43:01 GMT 2025
Code System Code Type Description
FDA UNII
X0N4EFN4AI
Created by admin on Tue Apr 01 19:43:01 GMT 2025 , Edited by admin on Tue Apr 01 19:43:01 GMT 2025
PRIMARY
EPA CompTox
DTXSID501001529
Created by admin on Tue Apr 01 19:43:01 GMT 2025 , Edited by admin on Tue Apr 01 19:43:01 GMT 2025
PRIMARY
PUBCHEM
92398
Created by admin on Tue Apr 01 19:43:01 GMT 2025 , Edited by admin on Tue Apr 01 19:43:01 GMT 2025
PRIMARY
CAS
80790-68-7
Created by admin on Tue Apr 01 19:43:01 GMT 2025 , Edited by admin on Tue Apr 01 19:43:01 GMT 2025
PRIMARY
NCI_THESAURUS
C1442
Created by admin on Tue Apr 01 19:43:01 GMT 2025 , Edited by admin on Tue Apr 01 19:43:01 GMT 2025
PRIMARY
Related Record Type Details
SALT/SOLVATE -> PARENT