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

Details

Stereochemistry ABSOLUTE
Molecular Formula C24H28NO7PS
Molecular Weight 505.52
Optical Activity ( - )
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of TAK-778

SMILES

CCOP(=O)(CC1=CC=C(NC(=O)[C@H]2CC3=CC4=C(OCO4)C=C3C(=O)[C@H](C)S2)C=C1)OCC

InChI

InChIKey=WXACSCNLLDFZHE-OYHNWAKOSA-N
InChI=1S/C24H28NO7PS/c1-4-31-33(28,32-5-2)13-16-6-8-18(9-7-16)25-24(27)22-11-17-10-20-21(30-14-29-20)12-19(17)23(26)15(3)34-22/h6-10,12,15,22H,4-5,11,13-14H2,1-3H3,(H,25,27)/t15-,22+/m0/s1

HIDE SMILES / InChI

Molecular Formula C24H28NO7PS
Molecular Weight 505.52
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

PubMed

PubMed

TitleDatePubMed
Sustained-release microcapsules of a bone formation stimulant, TAK-778, for local injection into a fracture site.
2001 Dec
Patents
Substance Class Chemical
Created
by admin
on Sat Dec 16 11:38:00 GMT 2023
Edited
by admin
on Sat Dec 16 11:38:00 GMT 2023
Record UNII
RJF24P5QDS
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
TAK-778
Code English
PHOSPHONIC ACID, ((4-(((5,6,8,9-TETRAHYDRO-8-METHYL-9-OXOTHIEPINO(4,5-F)-1,3-BENZODIOXOL-6-YL)CARBONYL)AMINO)PHENYL)METHYL)-, DIETHYL ESTER, (6R-TRANS)-
Systematic Name English
TAK-778-SR
Code English
PHOSPHONIC ACID, ((4-((((6R,8S)-5,6,8,9-TETRAHYDRO-8-METHYL-9-OXOTHIEPINO(4,5-F)-1,3-BENZODIOXOL-6-YL)CARBONYL)AMINO)PHENYL)METHYL)-, DIETHYL ESTER
Common Name English
TAK778
Code English
DIETHYL 4-((6R,8S)-8-METHYL-9-OXO-5,6,8,9-TETRAHYDROTHIEPINO(4',5':4,5)BENZO(1,2-D)(1,3)DIOXOLE-6-CARBOXAMIDO)BENZYLPHOSPHONATE
Systematic Name English
Code System Code Type Description
CAS
180185-61-9
Created by admin on Sat Dec 16 11:38:00 GMT 2023 , Edited by admin on Sat Dec 16 11:38:00 GMT 2023
PRIMARY
PUBCHEM
9806177
Created by admin on Sat Dec 16 11:38:00 GMT 2023 , Edited by admin on Sat Dec 16 11:38:00 GMT 2023
PRIMARY
FDA UNII
RJF24P5QDS
Created by admin on Sat Dec 16 11:38:00 GMT 2023 , Edited by admin on Sat Dec 16 11:38:00 GMT 2023
PRIMARY
MANUFACTURER PRODUCT INFORMATION
TAK-778
Created by admin on Sat Dec 16 11:38:00 GMT 2023 , Edited by admin on Sat Dec 16 11:38:00 GMT 2023
PRIMARY This trial will investigate the long-term safety and tolerability of <b>TAK</b> 875 in Japanese patients ... Double-blind Comparative Study of <b>TAK</b>-875. ... 800-<b>778</b>-2860
Related Record Type Details
ACTIVE MOIETY