SAPROPTERIN SESQUIHYDROCHLORIDE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	2C9H15N5O3.3ClH
Molecular Weight	591.877
Optical Activity	UNSPECIFIED
Defined Stereocenters	6 / 6
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of SAPROPTERIN SESQUIHYDROCHLORIDE

Structure Search

SMILES

Cl.Cl.Cl.[H][C@@]1(CNC2=C(N1)C(=O)NC(N)=N2)[C@@H](O)[C@H](C)O.[H][C@@]3(CNC4=C(N3)C(=O)NC(N)=N4)[C@@H](O)[C@H](C)O

InChI

InChIKey=IQNRAURJGSOFCP-KHAAUVMPSA-N

InChI=1S/2C9H15N5O3.3ClH/c2*1-3(15)6(16)4-2-11-7-5(12-4)8(17)14-9(10)13-7;;;/h2*3-4,6,12,15-16H,2H2,1H3,(H4,10,11,13,14,17);3*1H/t2*3-,4+,6-;;;/m00.../s1

HIDE SMILES / InChI

Molecular Formula	ClH
Molecular Weight	36.461
Charge	0
Count

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

Molecular Formula	C9H15N5O3
Molecular Weight	241.2471
Charge	0
Count

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

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 15:13:53 UTC 2023` Edited by `admin` on `Fri Dec 15 15:13:53 UTC 2023`
Record UNII	F774380N1W
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

SAPROPTERIN SESQUIHYDROCHLORIDE

Common Name

English

4(1H)-PTERIDINONE, 2-AMINO-6-(1,2-DIHYDROXYPROPYL)-5,6,7,8-TETRAHYDRO-, HYDROCHLORIDE (2:3), (6R-(6R*(1R*,2S*)))-

Common Name

English

Code System Code Type Description

FDA UNII

F774380N1W