ZALUNFIBAN ACETATE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C16H18N8O2S.C2H4O2
Molecular Weight	446.483
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC(O)=O.NCC(=O)NC1=CC(=CN=C1)C2=NN3C(S2)=NC(=CC3=O)N4CCNCC4

InChI

InChIKey=UJGNATZMWUYIRZ-UHFFFAOYSA-N

InChI=1S/C16H18N8O2S.C2H4O2/c17-7-13(25)20-11-5-10(8-19-9-11)15-22-24-14(26)6-12(21-16(24)27-15)23-3-1-18-2-4-23;1-2(3)4/h5-6,8-9,18H,1-4,7,17H2,(H,20,25);1H3,(H,3,4)

HIDE SMILES / InChI

Molecular Formula	C2H4O2
Molecular Weight	60.052
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Molecular Formula	C16H18N8O2S
Molecular Weight	386.432
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

Targets

Primary Target	Pharmacology	Condition	Potency
platelet aggregation 76 Target ID: GO:0070527 Sources: https://www.ncbi.nlm.nih.gov/pubmed/24461295 \| https://www.ncbi.nlm.nih.gov/pubmed/25147334	Inhibitor 8297		45.0 nM [IC50]
Integrin alpha-IIb/beta-3 14 Target ID: CHEMBL2093869 Sources: https://www.ncbi.nlm.nih.gov/pubmed/24461295 \| https://www.ncbi.nlm.nih.gov/pubmed/25147334	Antagonist 2778

Substance Class	Chemical Created by `admin` on `Sat Dec 16 18:27:22 GMT 2023` Edited by `admin` on `Sat Dec 16 18:27:22 GMT 2023`
Record UNII	722PY2DT28
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ZALUNFIBAN ACETATE

Official Name

English

RUC-4 ACETATE

Code

English

ACETAMIDE, 2-AMINO-N-(5-(5-OXO-7-(1-PIPERAZINYL)-5H-1,3,4-THIADIAZOLO(3,2-A)PYRIMIDIN-2-YL)-3-PYRIDINYL)-, ACETATE (1:1)

Systematic Name

English

ZALUNFIBAN ACETATE [USAN]

Common Name

English

2-AMINO-N-(5-(5-OXO-7-(PIPERAZIN-1-YL)-5H-1,3,4-THIADIAZOLO(3,2-A)PYRIMIDIN-2- YL)PYRIDIN-3-YL)-ACETAMIDE, ACETATE (1,1)

Systematic Name

English

Code System Code Type Description

SMS_ID

300000039970