4-AMINOTETRAHYDROBIOPTERIN DIHYDROCHLORIDE DIHYDRATE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C9H16N6O2.2ClH.2H2O
Molecular Weight	349.215
Optical Activity	UNSPECIFIED
Defined Stereocenters	3 / 3
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 4-AMINOTETRAHYDROBIOPTERIN DIHYDROCHLORIDE DIHYDRATE

Structure Search

SMILES

O.O.Cl.Cl.[H][C@@]1(CNC2=NC(N)=NC(N)=C2N1)[C@@H](O)[C@H](C)O

InChI

InChIKey=UWHDTHZEDSYSLS-YWUWEZHCSA-N

InChI=1S/C9H16N6O2.2ClH.2H2O/c1-3(16)6(17)4-2-12-8-5(13-4)7(10)14-9(11)15-8;;;;/h3-4,6,13,16-17H,2H2,1H3,(H5,10,11,12,14,15);2*1H;2*1H2/t3-,4+,6-;;;;/m0..../s1

HIDE SMILES / InChI

Molecular Formula	H2O
Molecular Weight	18.0153
Charge	0
Count

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

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	C9H16N6O2
Molecular Weight	240.2623
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 `Sat Dec 16 18:18:37 UTC 2023` Edited by `admin` on `Sat Dec 16 18:18:37 UTC 2023`
Record UNII	ZFE6KX23QA
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

4-AMINOTETRAHYDROBIOPTERIN DIHYDROCHLORIDE DIHYDRATE

Common Name

English

RONOPTERIN DIHYDROCHLORIDE DIHYDRATE

Common Name

English

RONOPTERIN DIHYDROCHLORIDE DIHYDRATE, (6R)-

Common Name

English

1,2-PROPANEDIOL, 1-((6R)-2,4-DIAMINO-5,6,7,8-TETRAHYDRO-6-PTERIDINYL)-, HYDROCHLORIDE, HYDRATE (1:2:2), (1R,2S)-

Systematic Name

English

Code System Code Type Description

CAS

1815587-06-4