AG005LS6

69056-38-8 | (6R)-5,6,7,8-Tetrahydro-l-biopterin diHCl

AG005LS6

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CAS Number	69056-38-8
Catalog Number	AG005LS6(AGN-PC-0TUDN0)
Chemical Name	(6R)-5,6,7,8-Tetrahydro-l-biopterin diHCl
IUPAC Name	(6R)-2-amino-6-[(1R,2S)-1,2-dihydroxypropyl]-5,6,7,8-tetrahydro-3H-pteridin-4-one;dihydrochloride
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
InChI Key	RKSUYBCOVNCALL-NTVURLEBSA-N
MDL Number	MFCD00891665
Molecular Formula	C9H17Cl2N5O3
Molecular Weight	314.1690
SMILES	O=C1N=C(N)NC2=C1N[C@@H]([C@@H](O)[C@@H](O)C)CN2.[H]Cl.[H]Cl
UNII	RG277LF5B3
Synonyms	1-butanone, 1-(2,4,5-trihydroxyphenyl), 2',4',5'-trihydroxybutyrophenone, 2,4,5-trihydroxybutyrophenone, 5,6,7,8-erythro-tetrahydrobiopterin, 5,6,7,8-tetrahydro-L-erythrobiopterin, 5,6,7,8-tetrahydrobiopterin, 5,6,7,8-tetrahydrobiopterin, (S-(R*,S*))-isomer, 5,6,7,8-tetrahydrodictyopterin, 6R-BH4, 6R-L-erythro-5,6,7,8-tetrahydrobiopterin, D-threo-tetrahydrobiopterin, kuvan, phenylalanine hydroxylase cofactor, sapropterin, sapropterin dihydrochloride, tetrahydro-6-biopterin, tetrahydrobiopterin, THBP, trihydroxybutyrophenone, 69056-38-8, Sapropterin dihydrochloride, (R)-2-Amino-6-((1R,2S)-1,2-dihydroxypropyl)-5,6,7,8-tetrahydropteridin-4(3H)-one dihydrochloride, Biopten, Kuvan, SAPROPTERIN HYDROCHLORIDE, (6R)-5,6,7,8-Tetrahydro-L-Biopterin Dihydrochloride, UNII-RG277LF5B3, Sapropterin (dihydrochloride), (6R)-Tetrahydrobiopterin hydrochloride, (6R)-5,6,7,8-Tetrahydrobiopterin dihydrochloride, (6R)-tetrahydrobiopterin dihydrochloride, RG277LF5B3, CHEBI:32120, SUN-0588 (SHIRATORI), Sapropterin dihydrochloride [USAN], 6R-BH4, Sapropterin dihydrochloride (USAN), SUN 0588, Sapropterin HCl, Phenoptin, (6R)-2-amino-6-[(1R,2S)-1,2-dihydroxypropyl]-5,6,7,8-tetrahydro-1H-pteridin-4-one dihydrochloride, Biopten (TN), SUN-0588, BioMarin T 1401, Shiratori SN 0588, Biobuden, T-1401, Bipten, sapropterin 2HCl, Sapropterin DiHCl, Kuvan (TN), Dapropterin dihydrochloride, NCGC00160393-01, T-1401 (Biomarin), AC1LCS48, DSSTox_CID_20620, DSSTox_RID_79515, DSSTox_GSID_40620, SCHEMBL258963, T1401 (BIOMARIN), (6beta)-5,6,7,8-Tetrahydro-L-biopterin dihydrochloride, CHEMBL1201775, DTXSID0040620, Sapropterin hydrochloride (JAN), CTK8B6290, HY-A0124A, Tetrahydrobiopterin dihydrochloride, (6R)-2-Amino-6-((1R,2S)-1,2-dihydroxypropyl)-5,6,7,8-tetrahydro-4(1H)-pteridinone dihydrochloride, (6R)-BH4, 4(1H)-Pteridinone, 5,6,7,8-tetrahydro-2-amino-6-(1,2-dihydroxypropyl)-, dihydrochloride, (6R-(6R*(1R*,2S*)))-, BCP09678, Tox21_111782, ANW-53224, CS-5740, AC-30208, AN-37981, AX8018900, CAS-69056-38-8, FT-0653813, KS-00001853, (6R)-5,6,7,8-Tetrahydro-l-biopterin diHCl, 56T388, D01798, (6R)-2-amino-6-[(1R,2S)-1,2-dihydroxypropyl]-5,6,7,8-tetrahydropteridin-4(1H)-one dihydrochloride, (6R)-2-amino-6-[(1R,2S)-1,2-dihydroxypropyl]-5,6,7,8-tetrahydropteridin-4(3H)-one dihydrochloride, (R)-2-amino-6-((1R,2S)-1,2-dihydroxypropyl)-5,6,7,8-tetrahydropteridin-4(1H)-one dihydrochloride, Dihydrochloride, tetrahydrobiopterin, R-THBP, D0S2IQ, C9H15N5O3.2ClH, C9-H15-N5-O3.2Cl-H, CID636369, T1401, -5,6,7,8-TETRAHYDRO-L-BIOPTERINDIHYDROCHLORIDE, (R)-2-Amino-6-((1R,2S)-1,2-dihydroxypropyl)-5,6,7,8-tetrahydropteridin-4(3H)-onedihydrochloride, BH4,

Complexity	405
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	3
Defined Atom Stereocenter Count	3
Defined Bond Stereocenter Count	0
Exact Mass	313.071g/mol
Formal Charge	0
Heavy Atom Count	19
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	8
Isotope Atom Count	0
Molecular Weight	314.167g/mol
Monoisotopic Mass	313.071g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	132A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number