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

Details

Stereochemistry ABSOLUTE
Molecular Formula C32H44N6O11
Molecular Weight 688.7254
Optical Activity ( + )
Defined Stereocenters 10 / 10
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CPZEN-45

SMILES

[H][C@@]5(O[C@H]([C@@]1([H])O[C@H]([C@H](O)[C@@H]1O)N2C=CC(=O)NC2=O)[C@]3([H])N(C)CC=C(N(C)C3=O)C(=O)NC4=CC=C(CCCC)C=C4)O[C@H](CN)[C@@H](O)[C@H]5O

InChI

InChIKey=RQVDLVWYEOCAJE-KDHSHZOVSA-N
InChI=1S/C32H44N6O11/c1-4-5-6-16-7-9-17(10-8-16)34-28(44)18-11-13-36(2)21(29(45)37(18)3)26(49-31-25(43)22(40)19(15-33)47-31)27-23(41)24(42)30(48-27)38-14-12-20(39)35-32(38)46/h7-12,14,19,21-27,30-31,40-43H,4-6,13,15,33H2,1-3H3,(H,34,44)(H,35,39,46)/t19-,21+,22-,23+,24-,25-,26+,27+,30-,31+/m1/s1

HIDE SMILES / InChI

Molecular Formula C32H44N6O11
Molecular Weight 688.7254
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 10 / 10
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 18:51:09 UTC 2023
Edited
by admin
on Sat Dec 16 18:51:09 UTC 2023
Record UNII
LLP2Z9Z2EK
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CPZEN-45
Code English
URIDINE, 5'-O-(5-AMINO-5-DEOXY-.BETA.-D-RIBOFURANOSYL)-5'-C-((2S)-5-(((4-BUTYLPHENYL)AMINO)CARBONYL)-2,3,4,7-TETRAHYDRO-1,4-DIMETHYL-3-OXO-1H-1,4-DIAZEPIN-2-YL)-, (5'S)-
Systematic Name English
Classification Tree Code System Code
FDA ORPHAN DRUG 783820
Created by admin on Sat Dec 16 18:51:09 UTC 2023 , Edited by admin on Sat Dec 16 18:51:09 UTC 2023
Code System Code Type Description
CAS
737759-36-3
Created by admin on Sat Dec 16 18:51:09 UTC 2023 , Edited by admin on Sat Dec 16 18:51:09 UTC 2023
PRIMARY
PUBCHEM
67419859
Created by admin on Sat Dec 16 18:51:09 UTC 2023 , Edited by admin on Sat Dec 16 18:51:09 UTC 2023
PRIMARY
FDA UNII
LLP2Z9Z2EK
Created by admin on Sat Dec 16 18:51:09 UTC 2023 , Edited by admin on Sat Dec 16 18:51:09 UTC 2023
PRIMARY
Related Record Type Details
TARGET ORGANISM->INHIBITOR
Related Record Type Details
ACTIVE MOIETY