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Details

Stereochemistry ABSOLUTE
Molecular Formula C31H46N4O8
Molecular Weight 602.7189
Optical Activity UNSPECIFIED
Defined Stereocenters 6 / 6
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 17-DEMETHOXY-17-((2-(DIMETHYLAMINO)ETHYL)AMINO)-6-O-DEMETHYL GELDANAMYCIN

SMILES

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

InChI

InChIKey=KOSOPKYEEDRVSD-XMBVWQFMSA-N
InChI=1S/C31H46N4O8/c1-17-13-21-26(33-11-12-35(5)6)24(37)16-22(28(21)39)34-30(40)18(2)9-8-10-23(36)29(43-31(32)41)20(4)15-19(3)27(38)25(14-17)42-7/h8-10,15-17,19,23,25,27,29,33,36,38H,11-14H2,1-7H3,(H2,32,41)(H,34,40)/b10-8-,18-9+,20-15+/t17-,19+,23+,25+,27-,29+/m1/s1

HIDE SMILES / InChI

Molecular Formula C31H46N4O8
Molecular Weight 602.7189
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 Sat Dec 16 15:35:03 GMT 2023
Edited
by admin
on Sat Dec 16 15:35:03 GMT 2023
Record UNII
3ZB9AFD3UL
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
17-DEMETHOXY-17-((2-(DIMETHYLAMINO)ETHYL)AMINO)-6-O-DEMETHYL GELDANAMYCIN
Common Name English
17-DMAG METABOLITE M4
Common Name English
GELDANAMYCIN, 17-DEMETHOXY-17-((2-(DIMETHYLAMINO)ETHYL)AMINO)-6-O-DEMETHYL-
Systematic Name English
Code System Code Type Description
PUBCHEM
118753149
Created by admin on Sat Dec 16 15:35:03 GMT 2023 , Edited by admin on Sat Dec 16 15:35:03 GMT 2023
PRIMARY
FDA UNII
3ZB9AFD3UL
Created by admin on Sat Dec 16 15:35:03 GMT 2023 , Edited by admin on Sat Dec 16 15:35:03 GMT 2023
PRIMARY
CAS
1353249-42-9
Created by admin on Sat Dec 16 15:35:03 GMT 2023 , Edited by admin on Sat Dec 16 15:35:03 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE
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