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Details

Stereochemistry ABSOLUTE
Molecular Formula C45H62N4O11
Molecular Weight 834.9957
Optical Activity UNSPECIFIED
Defined Stereocenters 9 / 9
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of 25-DESACETYLRIFAPENTINE

SMILES

C[C@@]1([H])/C(/[H])=C(\[H])/C(/[H])=C(\C)/C(=Nc2c(/C(/[H])=N/N3CCN(CC3)C4CCCC4)c(c5c(c(c(C)c6c5C(=O)[C@@](C)(O/C(/[H])=C(\[H])/[C@@]([H])([C@@]([H])(C)[C@]([H])([C@]([H])(C)[C@@]([H])([C@]([H])(C)[C@@]1([H])O)O)O)OC)O6)O)c2O)O)O

InChI

InChIKey=LPUNEQQTZOWCNO-WHXRYXKQSA-N
InChI=1S/C45H62N4O11/c1-23-12-11-13-24(2)44(57)47-35-30(22-46-49-19-17-48(18-20-49)29-14-9-10-15-29)40(54)32-33(41(35)55)39(53)28(6)42-34(32)43(56)45(7,60-42)59-21-16-31(58-8)25(3)37(51)27(5)38(52)26(4)36(23)50/h11-13,16,21-23,25-27,29,31,36-38,50-55H,9-10,14-15,17-20H2,1-8H3,(H,47,57)/b12-11+,21-16+,24-13+,46-22+/t23-,25+,26+,27-,31-,36-,37+,38+,45-/m0/s1

HIDE SMILES / InChI

Molecular Formula C45H62N4O11
Molecular Weight 834.9957
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 9 / 9
E/Z Centers 1
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Jun 26 08:45:48 UTC 2021
Edited
by admin
on Sat Jun 26 08:45:48 UTC 2021
Record UNII
29A0K44SJO
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
25-DESACETYLRIFAPENTINE
Common Name English
L-14583
Code English
25-DESACETYL RIFAPENTINE
Common Name English
RIFAMYCIN, 3-(((4-CYCLOPENTYL-1-PIPERAZINYL)IMINO)METHYL)-25-O-DEACETYL-
Common Name English
Code System Code Type Description
CAS
79039-56-8
Created by admin on Sat Jun 26 08:45:49 UTC 2021 , Edited by admin on Sat Jun 26 08:45:49 UTC 2021
PRIMARY
DRUG BANK
DB15213
Created by admin on Sat Jun 26 08:45:49 UTC 2021 , Edited by admin on Sat Jun 26 08:45:49 UTC 2021
PRIMARY
FDA UNII
29A0K44SJO
Created by admin on Sat Jun 26 08:45:49 UTC 2021 , Edited by admin on Sat Jun 26 08:45:49 UTC 2021
PRIMARY
PUBCHEM
135564528
Created by admin on Sat Jun 26 08:45:49 UTC 2021 , Edited by admin on Sat Jun 26 08:45:49 UTC 2021
PRIMARY
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Biological Half-life PHARMACOKINETIC