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

Details

Stereochemistry ABSOLUTE
Molecular Formula C33H36N4O3.2CH4O3S
Molecular Weight 728.875
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of MOZENAVIR DIMESYLATE

SMILES

CS(O)(=O)=O.CS(O)(=O)=O.NC1=CC=CC(CN2[C@H](CC3=CC=CC=C3)[C@H](O)[C@@H](O)[C@@H](CC4=CC=CC=C4)N(CC5=CC(N)=CC=C5)C2=O)=C1

InChI

InChIKey=HINZVVDZPLARRP-YSVIXOAZSA-N
InChI=1S/C33H36N4O3.2CH4O3S/c34-27-15-7-13-25(17-27)21-36-29(19-23-9-3-1-4-10-23)31(38)32(39)30(20-24-11-5-2-6-12-24)37(33(36)40)22-26-14-8-16-28(35)18-26;2*1-5(2,3)4/h1-18,29-32,38-39H,19-22,34-35H2;2*1H3,(H,2,3,4)/t29-,30-,31+,32+;;/m1../s1

HIDE SMILES / InChI

Molecular Formula CH4O3S
Molecular Weight 96.106
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C33H36N4O3
Molecular Weight 536.6639
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 4 / 4
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 15:44:32 UTC 2023
Edited
by admin
on Fri Dec 15 15:44:32 UTC 2023
Record UNII
Y7D3X3G1Z1
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
MOZENAVIR DIMESYLATE
Common Name English
XM-412
Code English
2H-1,3-DIAZEPIN-2-ONE, 1,3-BIS((3-AMINOPHENYL)METHYL)HEXAHYDRO-5,6-DIHYDROXY-4,7-BIS(PHENYLMETHYL)-, (4R,5S,6S,7R)-, METHANESULFONATE (1:2)
Systematic Name English
MOZENAVIR DIMESILATE
Common Name English
DMP-450
Code English
Code System Code Type Description
FDA UNII
Y7D3X3G1Z1
Created by admin on Fri Dec 15 15:44:33 UTC 2023 , Edited by admin on Fri Dec 15 15:44:33 UTC 2023
PRIMARY
PUBCHEM
9853375
Created by admin on Fri Dec 15 15:44:33 UTC 2023 , Edited by admin on Fri Dec 15 15:44:33 UTC 2023
PRIMARY
CAS
177932-89-7
Created by admin on Fri Dec 15 15:44:33 UTC 2023 , Edited by admin on Fri Dec 15 15:44:33 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE