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Details

Stereochemistry ABSOLUTE
Molecular Formula C26H32FN3O4.H3O4P
Molecular Weight 567.5436
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of YM-758 MONOPHOSPHATE

SMILES

OP(O)(O)=O.COC1=CC2=C(CN(CC2)C(=O)[C@@H]3CCCN(CCNC(=O)C4=CC=C(F)C=C4)C3)C=C1OC

InChI

InChIKey=ZYPKBNXZBIMKAY-VEIFNGETSA-N
InChI=1S/C26H32FN3O4.H3O4P/c1-33-23-14-19-9-12-30(17-21(19)15-24(23)34-2)26(32)20-4-3-11-29(16-20)13-10-28-25(31)18-5-7-22(27)8-6-18;1-5(2,3)4/h5-8,14-15,20H,3-4,9-13,16-17H2,1-2H3,(H,28,31);(H3,1,2,3,4)/t20-;/m1./s1

HIDE SMILES / InChI

Molecular Formula H3O4P
Molecular Weight 97.9952
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C26H32FN3O4
Molecular Weight 469.5484
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 11:31:54 GMT 2023
Edited
by admin
on Sat Dec 16 11:31:54 GMT 2023
Record UNII
64S4O9325D
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
YM-758 MONOPHOSPHATE
Common Name English
(-)-N-(2-((R)-3-(6,7-DIMETHOXY-1,2,3,4-TETRAHYDROISOQUINOLINE-2-CARBONYL)PIPERIDINO)ETHYL)-4-FLUOROBENZAMIDE MONOPHOSPHATE
Systematic Name English
YM758 MONOPHOSPHATE
Code English
YM-758 PHOSPHATE
Code English
YM-758 MONOPHOSPHATE SALT
Code English
(R)-(-)-N-(2-(3-((6,7-DIMETHOXY-1,2,3,4-TETRAHYDROISOQUINOLIN-2-YL)CARBONYL)PIPERIDINO)ETHYL)-4-FLUOROBENZAMIDE MONOPHOSPHATE
Systematic Name English
Code System Code Type Description
FDA UNII
64S4O9325D
Created by admin on Sat Dec 16 11:31:54 GMT 2023 , Edited by admin on Sat Dec 16 11:31:54 GMT 2023
PRIMARY
EPA CompTox
DTXSID10858574
Created by admin on Sat Dec 16 11:31:54 GMT 2023 , Edited by admin on Sat Dec 16 11:31:54 GMT 2023
PRIMARY
CAS
312752-86-6
Created by admin on Sat Dec 16 11:31:54 GMT 2023 , Edited by admin on Sat Dec 16 11:31:54 GMT 2023
PRIMARY
PUBCHEM
9894204
Created by admin on Sat Dec 16 11:31:54 GMT 2023 , Edited by admin on Sat Dec 16 11:31:54 GMT 2023
PRIMARY
MANUFACTURER PRODUCT INFORMATION
YM-758 MONOPHOSPHATE
Created by admin on Sat Dec 16 11:31:54 GMT 2023 , Edited by admin on Sat Dec 16 11:31:54 GMT 2023
PRIMARY YM 758 Phosphate is a novel If channel inhibitor for the treatment of stable angina and atrial fibrillation. A novel cardiovascular agent.
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ACTIVE MOIETY