CAS No.69056-38-8,(6R)-5,6,7,8-TETRAHYDRO-L-BIOPTERIN DIHYDROCHLORIDE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	69056-38-8
Name:	(6R)-5,6,7,8-TETRAHYDRO-L-BIOPTERIN DIHYDROCHLORIDE

Formula:	C₉H₁₇Cl₂N₅O₃
Molecular Weight:	314.172
Synonyms:	4(1H)-Pteridinone,2-amino-6-(1,2-dihydroxypropyl)-5,6,7,8-tetrahydro-, dihydrochloride,[6R-[6R(1R,2S*)]]-;4(1H)-Pteridinone,2-amino-6-[(1R,2S)-1,2-dihydroxypropyl]-5,6,7,8-tetrahydro-, dihydrochloride,(6R)- (9CI);Sapropterindihydrochloride;
EINECS:	663-669-3
Melting Point:	245-246° (dec)
Boiling Point:	506.6 °C at 760 mmHg
Flash Point:	260.2 °C
Appearance:	white crystalline solid
Hazard Symbols:	Xn
Risk Codes:	22
PSA:	136.29000
LogP:	0.76100

Raw Materials

22150-76-1

Total:98 Page 1 of 3 1 2 3 Next>>

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Specification

The (6R)-5,6,7,8-Tetrahydro-L-biopterin dihydrochloride, with the CAS registry number 69056-38-8, is also known as Sapropterin dihydrochloride. It belongs to the product categories of Chemical Amines; Amines; Chiral Reagents; Heterocycles; Nitric Oxide Reagents; Nitric Oxide. This chemical's molecular formula is C₉H₁₇Cl₂N₅O₃ and molecular weight is 314.17. What's more, both its IUPAC name and systematic name are the same which is called (6R)-2-Amino-6-[(1R,2S)-1,2-dihydroxypropyl]-5,6,7,8-tetrahydro-1H-pteridin-4-one dihydrochloride. It should be stored in a sealed container at -20 °C. This chemical is used as a natural cofactor for phenylalanine hydroxylase, tyrosine hydroxylase, tryptophan hydroxylase, and nitric oxide synthase. And it is an essential cofactor for the production of neurotransmitters such as catecholamines, serotonin, and nitric oxide. When you are dealing with this chemical, you should be very careful. This chemical may cause damage to health and it is harmful if swallowed.

Physical properties about (6R)-5,6,7,8-Tetrahydro-L-biopterin dihydrochloride are: (1)ACD/LogP: -4.216; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): -6.11; (4)ACD/LogD (pH 7.4): -4.94; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 1.00; (8)ACD/KOC (pH 7.4): 1.00; (9)#H bond acceptors: 8; (10)#H bond donors: 7; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 60.85 Å²; (13)Flash Point: 260.2 °C; (14)Enthalpy of Vaporization: 89.4 kJ/mol; (15)Boiling Point: 506.6 °C at 760 mmHg; (16)Vapour Pressure: 2.2E-12 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: Cl.Cl.O=C2\N=C(/NC=1NC[C@@H](NC=12)[C@@H](O)[C@@H](O)C)N
(2) InChI: InChI=1S/C9H15N5O3.2ClH/c1-3(15)6(16)4-2-11-7-5(12-4)8(17)14-9(10)13-7;;/h3-4,6,12,15-16H,2H2,1H3,(H4,10,11,13,14,17);2*1H/t3-,4+,6-;;/m0../s1
(3) InChIKey: RKSUYBCOVNCALL-NTVURLEBSA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Source
mouse	LD50	intravenous	150mg/kg (150mg/kg)	Yakkyoku. Pharmacy. Vol. 43, Pg. 1191, 1992.
mouse	LD50	oral	1gm/kg (1000mg/kg)	Yakkyoku. Pharmacy. Vol. 43, Pg. 1191, 1992.
mouse	LD50	subcutaneous	239mg/kg (239mg/kg)	Yakkyoku. Pharmacy. Vol. 43, Pg. 1191, 1992.
rat	LD50	intravenous	150mg/kg (150mg/kg)	Yakkyoku. Pharmacy. Vol. 43, Pg. 1191, 1992.
rat	LD50	oral	1gm/kg (1000mg/kg)	Yakkyoku. Pharmacy. Vol. 43, Pg. 1191, 1992.
rat	LD50	subcutaneous	1084mg/kg (1084mg/kg)	Yakkyoku. Pharmacy. Vol. 43, Pg. 1191, 1992.