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Details

Stereochemistry UNKNOWN
Molecular Formula C32H48N4O9
Molecular Weight 632.7449
Optical Activity UNSPECIFIED
Defined Stereocenters 6 / 7
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 17-DEMETHOXY-17-((2-(DIMETHYLAMINO)-1-HYDROXYETHYL)AMINO) GELDANAMYCIN

SMILES

CO[C@H]1C[C@H](C)CC2=C(NC(O)CN(C)C)C(=O)C=C(NC(=O)\C(C)=C\C=C[C@H](OC)[C@@H](OC(N)=O)\C(C)=C\[C@H](C)[C@H]1O)C2=O

InChI

InChIKey=HFPIRAYJPQBHGB-SMBYFMJGSA-N
InChI=1S/C32H48N4O9/c1-17-12-21-27(35-26(38)16-36(5)6)23(37)15-22(29(21)40)34-31(41)18(2)10-9-11-24(43-7)30(45-32(33)42)20(4)14-19(3)28(39)25(13-17)44-8/h9-11,14-15,17,19,24-26,28,30,35,38-39H,12-13,16H2,1-8H3,(H2,33,42)(H,34,41)/b11-9-,18-10+,20-14+/t17-,19+,24+,25+,26?,28-,30+/m1/s1

HIDE SMILES / InChI

Molecular Formula C32H48N4O9
Molecular Weight 632.7449
Charge 0
Count
Stereochemistry EPIMERIC
Additional Stereochemistry No
Defined Stereocenters 6 / 7
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 15:22:48 GMT 2023
Edited
by admin
on Sat Dec 16 15:22:48 GMT 2023
Record UNII
PRH7AG52EF
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
17-DEMETHOXY-17-((2-(DIMETHYLAMINO)-1-HYDROXYETHYL)AMINO) GELDANAMYCIN
Common Name English
17-DMAG METABOLITE M2
Common Name English
GELDANAMYCIN, 17-DEMETHOXY-17-((2-(DIMETHYLAMINO)-1-HYDROXYETHYL)AMINO)-
Systematic Name English
Code System Code Type Description
CAS
1353249-34-9
Created by admin on Sat Dec 16 15:22:48 GMT 2023 , Edited by admin on Sat Dec 16 15:22:48 GMT 2023
PRIMARY
FDA UNII
PRH7AG52EF
Created by admin on Sat Dec 16 15:22:48 GMT 2023 , Edited by admin on Sat Dec 16 15:22:48 GMT 2023
PRIMARY
PUBCHEM
118753147
Created by admin on Sat Dec 16 15:22:48 GMT 2023 , Edited by admin on Sat Dec 16 15:22:48 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE
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