U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C26H35N3O3
Molecular Weight 437.5744
Optical Activity UNSPECIFIED
Defined Stereocenters 6 / 6
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of 16-(4-PYRIDINOYLHYDRAZONO)-ENT-BEYERAN-19-OIC ACID

SMILES

[H][C@@]12CC[C@@]3(C)C[C@@]1(C\C3=N\NC(=O)C4=CC=NC=C4)CC[C@]5([H])[C@@](C)(CCC[C@@]25C)C(O)=O

InChI

InChIKey=MOSRHJAYBXETJQ-DQBUYBHESA-N
InChI=1S/C26H35N3O3/c1-23-11-5-19-24(2)9-4-10-25(3,22(31)32)18(24)6-12-26(19,16-23)15-20(23)28-29-21(30)17-7-13-27-14-8-17/h7-8,13-14,18-19H,4-6,9-12,15-16H2,1-3H3,(H,29,30)(H,31,32)/b28-20-/t18-,19-,23-,24+,25+,26-/m0/s1

HIDE SMILES / InChI

Molecular Formula C26H35N3O3
Molecular Weight 437.5744
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 6 / 6
E/Z Centers 1
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 08:26:57 UTC 2023
Edited
by admin
on Sat Dec 16 08:26:57 UTC 2023
Record UNII
99WCY7PYQ8
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
16-(4-PYRIDINOYLHYDRAZONO)-ENT-BEYERAN-19-OIC ACID
Common Name English
(4.ALPHA.)-13-METHYL-16-(2-(4-PYRIDINYLCARBONYL)HYDRAZINYLIDENE)-17-NORKAURAN-18-OIC ACID
Systematic Name English
17-NORKAURAN-18-OIC ACID, 13-METHYL-16-(2-(4-PYRIDINYLCARBONYL)HYDRAZINYLIDENE)-, (4.ALPHA.)-
Systematic Name English
Code System Code Type Description
CAS
1334421-47-4
Created by admin on Sat Dec 16 08:26:57 UTC 2023 , Edited by admin on Sat Dec 16 08:26:57 UTC 2023
PRIMARY
FDA UNII
99WCY7PYQ8
Created by admin on Sat Dec 16 08:26:57 UTC 2023 , Edited by admin on Sat Dec 16 08:26:57 UTC 2023
PRIMARY
PUBCHEM
162623500
Created by admin on Sat Dec 16 08:26:57 UTC 2023 , Edited by admin on Sat Dec 16 08:26:57 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> CONSTITUENT ALWAYS PRESENT
MIC value of the in vitro growth of Mycobacterium Tuberculosis (H37RV strain) of the new anti-tuberculosis terpenoid derived agent tested was 20 ug/ml.