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Details

Stereochemistry UNKNOWN
Molecular Formula C32H48N4O11
Molecular Weight 664.7437
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)-28,30-DIHYDROXY GELDANAMYCIN

SMILES

CO[C@H]1C[C@H](CO)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](CO)[C@H]1O)C2=O

InChI

InChIKey=XMPLFHWBGPQLBU-WVMULNPOSA-N
InChI=1S/C32H48N4O11/c1-17-8-7-9-24(45-5)30(47-32(33)44)18(2)10-20(16-38)28(41)25(46-6)12-19(15-37)11-21-27(35-26(40)14-36(3)4)23(39)13-22(29(21)42)34-31(17)43/h7-10,13,19-20,24-26,28,30,35,37-38,40-41H,11-12,14-16H2,1-6H3,(H2,33,44)(H,34,43)/b9-7-,17-8+,18-10+/t19-,20-,24+,25+,26?,28-,30+/m1/s1

HIDE SMILES / InChI

Molecular Formula C32H48N4O11
Molecular Weight 664.7437
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 15:22:47 GMT 2023
Edited
by admin
on Sat Dec 16 15:22:47 GMT 2023
Record UNII
79GJ47Y4XP
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
17-DEMETHOXY-17-((2-(DIMETHYLAMINO)-1-HYDROXYETHYL)AMINO)-28,30-DIHYDROXY GELDANAMYCIN
Common Name English
17-DMAG METABOLITE M6
Common Name English
GELDANAMYCIN, 17-DEMETHOXY-17-((2-(DIMETHYLAMINO)-1-HYDROXYETHYL)AMINO)-28,30-DIHYDROXY-
Common Name English
Code System Code Type Description
FDA UNII
79GJ47Y4XP
Created by admin on Sat Dec 16 15:22:47 GMT 2023 , Edited by admin on Sat Dec 16 15:22:47 GMT 2023
PRIMARY
PUBCHEM
118753267
Created by admin on Sat Dec 16 15:22:47 GMT 2023 , Edited by admin on Sat Dec 16 15:22:47 GMT 2023
PRIMARY
CAS
1353249-50-9
Created by admin on Sat Dec 16 15:22:47 GMT 2023 , Edited by admin on Sat Dec 16 15:22:47 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE
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