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Details

Stereochemistry ABSOLUTE
Molecular Formula C32H48N4O9
Molecular Weight 632.7449
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)-27-HYDROXYGELDANAMYCIN

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

InChI

InChIKey=GKYPECVVIPYPRW-CCJULLHPSA-N
InChI=1S/C32H48N4O9/c1-18-13-22-27(34-11-12-36(4)5)24(38)16-23(29(22)40)35-31(41)19(2)9-8-10-25(43-6)30(45-32(33)42)21(17-37)15-20(3)28(39)26(14-18)44-7/h8-10,15-16,18,20,25-26,28,30,34,37,39H,11-14,17H2,1-7H3,(H2,33,42)(H,35,41)/b10-8-,19-9+,21-15+/t18-,20+,25+,26+,28-,30+/m1/s1

HIDE SMILES / InChI

Molecular Formula C32H48N4O9
Molecular Weight 632.7449
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 15:38:14 UTC 2023
Edited
by admin
on Sat Dec 16 15:38:14 UTC 2023
Record UNII
F9R4XR9W3F
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
17-DEMETHOXY-17-((2-(DIMETHYLAMINO)ETHYL)AMINO)-27-HYDROXYGELDANAMYCIN
Systematic Name English
GELDANAMYCIN, 17-DEMETHOXY-17-((2-(DIMETHYLAMINO)ETHYL)AMINO)-27-HYDROXY-
Systematic Name English
17-DMAG METABOLITE M1
Common Name English
Code System Code Type Description
FDA UNII
F9R4XR9W3F
Created by admin on Sat Dec 16 15:38:15 UTC 2023 , Edited by admin on Sat Dec 16 15:38:15 UTC 2023
PRIMARY
PUBCHEM
10153393
Created by admin on Sat Dec 16 15:38:15 UTC 2023 , Edited by admin on Sat Dec 16 15:38:15 UTC 2023
PRIMARY
CAS
574717-99-0
Created by admin on Sat Dec 16 15:38:15 UTC 2023 , Edited by admin on Sat Dec 16 15:38:15 UTC 2023
PRIMARY
Related Record Type Details
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