EFEGATRAN SULFATE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C21H32N6O3.H2O4S
Molecular Weight	514.596
Optical Activity	UNSPECIFIED
Defined Stereocenters	3 / 3
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

OS(O)(=O)=O.CN[C@H](CC1=CC=CC=C1)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCNC(N)=N)C=O

InChI

InChIKey=BISKEOIROPAOGY-RXQQAGQTSA-N

InChI=1S/C21H32N6O3.H2O4S/c1-24-17(13-15-7-3-2-4-8-15)20(30)27-12-6-10-18(27)19(29)26-16(14-28)9-5-11-25-21(22)23;1-5(2,3)4/h2-4,7-8,14,16-18,24H,5-6,9-13H2,1H3,(H,26,29)(H4,22,23,25);(H2,1,2,3,4)/t16-,17+,18-;/m0./s1

HIDE SMILES / InChI

Molecular Formula	H2O4S
Molecular Weight	98.078
Charge	0
Count

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

Molecular Formula	C21H32N6O3
Molecular Weight	416.5172
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	3 / 3
E/Z Centers	0
Optical Activity	UNSPECIFIED

Description
Sources: https://www.ncbi.nlm.nih.gov/pubmed/2342067 | https://www.ncbi.nlm.nih.gov/pubmed/1641823 | https://www.ncbi.nlm.nih.gov/pubmed/1641827 | https://www.ncbi.nlm.nih.gov/pubmed/16001314 | https://adisinsight.springer.com/drugs/800001951

Efegatran (GYKI 14766; LY 294468) is a tripeptide D-methyl-phenylalanyl-prolyl-arginal thrombin inhibitor. It was developed by IVAX for the potential treatment of thromboembolic disorders, mainly myocardial infarction. However, information about the further development is not available.

Originator

Approval Year

PubMed

Title	Date	PubMed

Patents

Substance Class	Chemical Created by `admin` on `Fri Dec 15 15:52:17 GMT 2023` Edited by `admin` on `Fri Dec 15 15:52:17 GMT 2023`
Record UNII	VB4VCH77JV
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

EFEGATRAN SULFATE

Official Name

English

N-METHYL-D-PHENYLALANYL-N-((1S)-1-FORMYL-4-GUANIDINOBUTYL)-L-PROLINAMIDE SULFATE (1:1)

Common Name

English

EFEGATRAN SULPHATE

Common Name

English

L-PROLINAMIDE, N-METHYL-D-PHENYLALANYL-N-(4-((AMINOIMINOMETHYL)AMINO)-1-FORMYLBUTYL)-, (S)-, SULFATE (1:1)

Common Name

English

EFEGATRAN SULFATE [USAN]

Common Name

English

LY-294468 SULFATE

Code

English

LY294468 SULFATE

Code

English

Classification Tree Code System Code

NCI_THESAURUS

C263