Orbofiban acetate | CAS#165800-05-5

MedKoo Cat#: 535721 | Name: Orbofiban acetate

Description:

WARNING: This product is for research use only, not for human or veterinary use.

Orbofiban acetate is a bioactive chemical.

Chemical Structure

Orbofiban acetate

CAS#165800-05-5 (acetate hydrate)

Theoretical Analysis

MedKoo Cat#: 535721

Name: Orbofiban acetate

CAS#: 165800-05-5 (acetate hydrate)

Chemical Formula: C76H110N20O25

Exact Mass: 1702.7951

Molecular Weight: 1703.83

Elemental Analysis: C, 53.58; H, 6.51; N, 16.44; O, 23.48

Price and Availability

This product is currently not in stock but may be available through custom synthesis. To ensure cost efficiency, the minimum order quantity is 1 gram. The estimated lead time is 2 to 4 months, with pricing dependent on the complexity of the synthesis (typically high for intricate chemistries). Quotes for quantities below 1 gram will not be provided. To request a quote, please click the button below. Note: If this product becomes available in stock in the future, pricing will be listed accordingly.

Bulk Inquiry

Related CAS #

163250-90-6 (free base) 163250-91-7 (acetate anhydrous) 165800-05-5 (acetate hydrate)

Synonym

Orbofiban acetate

IUPAC/Chemical Name

beta-alanine, N-(((1-(4-(aminoiminomethyl)phenyl)-2-oxo-3-pyrrolidinyl)amino)carbonyl)-, ethyl ester, (S)-, monoacetate, hydrate (4:1)

InChi Key

SVMJTTTTYFMATC-QSGPNNMYSA-N

InChi Code

InChI=1S/4C17H23N5O4.4C2H4O2.H2O/c4*1-2-26-14(23)7-9-20-17(25)21-13-8-10-22(16(13)24)12-5-3-11(4-6-12)15(18)19;4*1-2(3)4;/h4*3-6,13H,2,7-10H2,1H3,(H3,18,19)(H2,20,21,25);4*1H3,(H,3,4);1H2/t4*13-;;;;;/m0000...../s1

SMILES Code

O=C(OCC)CCNC(N[C@@H]1C(N(C2=CC=C(C(N)=N)C=C2)CC1)=O)=O.CC(O)=O.O=C(OCC)CCNC(N[C@@H]3C(N(C4=CC=C(C(N)=N)C=C4)CC3)=O)=O.CC(O)=O.O=C(OCC)CCNC(N[C@@H]5C(N(C6=CC=C(C(N)=N)C=C6)CC5)=O)=O.CC(O)=O.O=C(OCC)CCNC(N[C@@H]7C(N(C8=CC=C(C(N)=N)C=C8)CC7)=O)=O.CC(O)=O.[H]O[H]

Appearance

Solid powder

Purity

>98% (or refer to the Certificate of Analysis)

Shipping Condition

Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.

Storage Condition

Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).

Solubility

Soluble in DMSO

Shelf Life

>3 years if stored properly

Drug Formulation

This drug may be formulated in DMSO

Stock Solution Storage

0 - 4 C for short term (days to weeks), or -20 C for long term (months).

HS Tariff Code

2934.99.9001

More Info

Instruction

View handling instruction

Preparing Stock Solutions

The following data is based on the product molecular weight 1,703.83 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.

Concentration / Solvent Volume / Mass	1 mg	5 mg	10 mg
1 mM	1.15 mL	5.76 mL	11.51 mL
5 mM	0.23 mL	1.15 mL	2.3 mL
10 mM	0.12 mL	0.58 mL	1.15 mL
50 mM	0.02 mL	0.12 mL	0.23 mL

1: Bayes M, Rabasseda X, Prous JR. Gateways to clinical trials. Methods Find Exp Clin Pharmacol. 2006 Dec;28(10):719-40. PMID: 17235418. 2: Bayes M, Rabasseda X, Prous JR. Gateways to clinical trials. Methods Find Exp Clin Pharmacol. 2006 Jun;28(5):323-43. PMID: 16845450. 3: Sabatine MS, Jang IK. The use of glycoprotein IIb/IIIa inhibitors in patients with coronary artery disease. Am J Med. 2000 Aug 15;109(3):224-37. doi: 10.1016/s0002-9343(00)00474-5. PMID: 10974186.