25-DESACETYLRIFAPENTINE

Investigational

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C45H62N4O11
Molecular Weight	834.994
Optical Activity	UNSPECIFIED
Defined Stereocenters	9 / 9
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CO[C@H]1\C=C\O[C@@]2(C)OC3=C(C2=O)C4=C(O)C(\C=N\N5CCN(CC5)C6CCCC6)=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](O)[C@@H]1C)C(O)=C4C(O)=C3C

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	834.994
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 `Fri Dec 15 17:59:23 UTC 2023` Edited by `admin` on `Fri Dec 15 17:59:23 UTC 2023`
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 Fri Dec 15 17:59:23 UTC 2023 , Edited by admin on Fri Dec 15 17:59:23 UTC 2023

PRIMARY

DRUG BANK

DB15213

Created by admin on Fri Dec 15 17:59:23 UTC 2023 , Edited by admin on Fri Dec 15 17:59:23 UTC 2023

PRIMARY

FDA UNII

29A0K44SJO

Created by admin on Fri Dec 15 17:59:23 UTC 2023 , Edited by admin on Fri Dec 15 17:59:23 UTC 2023

PRIMARY

PUBCHEM

135564528

Created by admin on Fri Dec 15 17:59:23 UTC 2023 , Edited by admin on Fri Dec 15 17:59:23 UTC 2023

PRIMARY

Related Record Type Details


					XJM390A33U

RIFAPENTINE

PARENT -> METABOLITE

Qualification:

FECAL

Amount:


					XJM390A33U

RIFAPENTINE

PARENT -> METABOLITE

Qualification:

URINE

Amount:

Related Record Type Details


					29A0K44SJO

25-DESACETYLRIFAPENTINE

ACTIVE MOIETY

Name	Property Type	Amount	Referenced Substance	Defining	Parameters	References
Tmax	PHARMACOKINETIC

Biological Half-life	PHARMACOKINETIC