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

Details

Stereochemistry ABSOLUTE
Molecular Formula C35H57N3O3
Molecular Weight 567.8454
Optical Activity UNSPECIFIED
Defined Stereocenters 10 / 10
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DPM-1001

SMILES

[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)C[C@@]4([H])C[C@H](CC[C@]4(C)[C@@]3([H])CC[C@]12C)NCCCCNCC5=CC=CC=N5)[C@H](C)CCC(=O)OC

InChI

InChIKey=RVANDQULNPITCN-PTSOVGQSSA-N
InChI=1S/C35H57N3O3/c1-24(10-13-32(40)41-4)28-11-12-29-33-30(15-17-35(28,29)3)34(2)16-14-26(21-25(34)22-31(33)39)37-20-8-7-18-36-23-27-9-5-6-19-38-27/h5-6,9,19,24-26,28-31,33,36-37,39H,7-8,10-18,20-23H2,1-4H3/t24-,25-,26+,28-,29+,30+,31-,33+,34+,35-/m1/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
DPM-1001
Code English
Cholan-24-oic acid, 7-hydroxy-3-[[4-[(2-pyridinylmethyl)amino]butyl]amino]-, methyl ester, (3β,5α,7α)-
Systematic Name English
Methyl (3β,5α,7α)-7-hydroxy-3-[[4-[(2-pyridinylmethyl)amino]butyl]amino]cholan-24-oate
Common Name English
Classification Tree Code System Code
FDA ORPHAN DRUG 876122
Created by admin on Sat Dec 16 19:13:13 GMT 2023 , Edited by admin on Sat Dec 16 19:13:13 GMT 2023
Code System Code Type Description
CAS
1471172-29-8
Created by admin on Sat Dec 16 19:13:13 GMT 2023 , Edited by admin on Sat Dec 16 19:13:13 GMT 2023
PRIMARY
FDA UNII
4EA2U2RX2G
Created by admin on Sat Dec 16 19:13:13 GMT 2023 , Edited by admin on Sat Dec 16 19:13:13 GMT 2023
PRIMARY
PUBCHEM
155353086
Created by admin on Sat Dec 16 19:13:13 GMT 2023 , Edited by admin on Sat Dec 16 19:13:13 GMT 2023
PRIMARY