CAS No.4561-10-8,H-GLU(OBZL)-OBZL HCL Suppliers

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Basic Information

Molecular Structure:
CAS No.:	4561-10-8
Name:	H-GLU(OBZL)-OBZL HCL
Article Data:	5

Formula:	C₁₉H₂₂ClNO₄
Molecular Weight:	363.841
Synonyms:	Glutamicacid, dibenzyl ester, hydrochloride (6CI,7CI);Glutamic acid, dibenzyl ester, hydrochloride,L- (8CI);L-Glutamic acid, bis(phenylmethyl) ester, hydrochloride (9CI);Dibenzyl L-glutamate hydrochloride;Dibenzyl glutamate hydrochloride;H-Glu(Obzl)-Obzl.HCl;
Melting Point:	102.0 to 106.0 °C
Boiling Point:	453.5 °C at 760 mmHg
Flash Point:	165.6 °C
PSA:	78.62000
LogP:	4.08300

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Specification

The L-Glutamic acid,1,5-bis(phenylmethyl) ester, hydrochloride (1:1), with the CAS registry number 4561-10-8, is also known as L-Glutamic acid, bis(phenylmethyl) ester, hydrochloride. This chemical's molecular formula is C₁₉H₂₂ClNO₄ and molecular weight is 363.84. What's more, its IUPAC name is Dibenzyl (2S)-2-aminopentanedioate hydrochloride and systematic name is called Dibenzyl L-glutamate hydrochloride (1:1). This chemical's classification code is Drug / Therapeutic Agent.

Physical properties about L-Glutamic acid,1,5-bis(phenylmethyl) ester, hydrochloride (1:1) are: (1) ACD/LogP: 3.50; (2) # of Rule of 5 Violations: 0; (3) #H bond acceptors: 5; (4) #H bond donors: 2; (5) #Freely Rotating Bonds: 1; (6) Polar Surface Area: 55.84 Å²; (7) Flash Point: 165.6 °C; (8) Enthalpy of Vaporization: 71.29 kJ/mol; (9) Boiling Point: 453.5 °C at 760 mmHg; (10) Vapour Pressure: 2.06E-08 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: Cl.O=C(OCc1ccccc1)CC[C@@H](C(=O)OCc2ccccc2)N
(2) InChI: InChI=1/C19H21NO4.ClH/c20-17(19(22)24-14-16-9-5-2-6-10-16)11-12-18(21)23-13-15-7-3-1-4-8-15;/h1-10,17H,11-14,20H2;1H/t17-;/m0./s1
(3) InChIKey: GRGJVECUQLAEDM-LMOVPXPDBL

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	intraperitoneal	> 2gm/kg (2000mg/kg)		Pharmaceutical Chemistry Journal Vol. 25, Pg. 246, 1991.