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Details

Stereochemistry EPIMERIC
Molecular Formula C49H65N3O15
Molecular Weight 936.0515
Optical Activity UNSPECIFIED
Defined Stereocenters 9 / 10
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CGP-4832

SMILES

CO[C@H]1\C=C\O[C@@]2(C)OC3=C(C2=O)C4=C(C(=O)C(NC(=O)C(C)=C\C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(=O)CC(=O)OCC5CCCN(C)C5)[C@@H]1C)=C(N6CCOCC6)C4=O)C(O)=C3C

InChI

InChIKey=FRCBXOTYSDSELT-DUULCSDKSA-N
InChI=1S/C49H65N3O15/c1-25-12-10-13-26(2)48(61)50-38-39(52-17-20-63-21-18-52)44(59)35-36(43(38)58)42(57)30(6)46-37(35)47(60)49(7,67-46)65-19-15-32(62-9)27(3)45(29(5)41(56)28(4)40(25)55)66-34(54)22-33(53)64-24-31-14-11-16-51(8)23-31/h10,12-13,15,19,25,27-29,31-32,40-41,45,55-57H,11,14,16-18,20-24H2,1-9H3,(H,50,61)/b12-10+,19-15+,26-13-/t25-,27+,28+,29+,31?,32-,40-,41+,45+,49-/m0/s1

HIDE SMILES / InChI

Molecular Formula C49H65N3O15
Molecular Weight 936.0515
Charge 0
Count
Stereochemistry EPIMERIC
Additional Stereochemistry No
Defined Stereocenters 9 / 10
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 11:39:10 GMT 2023
Edited
by admin
on Sat Dec 16 11:39:10 GMT 2023
Record UNII
XUF8PWG90O
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CGP-4832
Common Name English
RIFAMYCIN, 25-O-DEACETYL-1,4-DIDEOXY-1,4-DIHYDRO-25-O-(3-((1-METHYL-3-PIPERIDINYL)METHOXY)-1,3-DIOXOPROPYL)-3-(4-MORPHOLINYL)-1,4-DIOXO-
Systematic Name English
Code System Code Type Description
CAS
113303-81-4
Created by admin on Sat Dec 16 11:39:10 GMT 2023 , Edited by admin on Sat Dec 16 11:39:10 GMT 2023
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FDA UNII
XUF8PWG90O
Created by admin on Sat Dec 16 11:39:10 GMT 2023 , Edited by admin on Sat Dec 16 11:39:10 GMT 2023
PRIMARY
PUBCHEM
121225234
Created by admin on Sat Dec 16 11:39:10 GMT 2023 , Edited by admin on Sat Dec 16 11:39:10 GMT 2023
PRIMARY
DRUG BANK
DB04220
Created by admin on Sat Dec 16 11:39:10 GMT 2023 , Edited by admin on Sat Dec 16 11:39:10 GMT 2023
PRIMARY