(R)-2-METHYL-1,2,3,4-TETRAHYDROISOQUINOLINE-4,8-DIOL HYDROCHLORIDE MONOHYDRATE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C10H13NO2.ClH.H2O
Molecular Weight	233.692
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of (R)-2-METHYL-1,2,3,4-TETRAHYDROISOQUINOLINE-4,8-DIOL HYDROCHLORIDE MONOHYDRATE

Structure Search

SMILES

O.Cl.CN1C[C@H](O)C2=CC=CC(O)=C2C1

InChI

InChIKey=ZTHQIOOVOBDICN-XRIOVQLTSA-N

InChI=1S/C10H13NO2.ClH.H2O/c1-11-5-8-7(10(13)6-11)3-2-4-9(8)12;;/h2-4,10,12-13H,5-6H2,1H3;1H;1H2/t10-;;/m0../s1

HIDE SMILES / InChI

Molecular Formula	C10H13NO2
Molecular Weight	179.2157
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	1 / 1
E/Z Centers	0
Optical Activity	UNSPECIFIED

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	H2O
Molecular Weight	18.0153
Charge	0
Count

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

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 10:33:06 GMT 2023` Edited by `admin` on `Sat Dec 16 10:33:06 GMT 2023`
Record UNII	PYP30I3HVC
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

(R)-2-METHYL-1,2,3,4-TETRAHYDROISOQUINOLINE-4,8-DIOL HYDROCHLORIDE MONOHYDRATE

Systematic Name

English

ISOQUINOLINE 4,8-DIOL ANALOG [USP IMPURITY]

Common Name

English

PHENYLEPHRINE RELATED COMPOUND F [USP-RS]

Common Name

English

4,8-ISOQUIN [USP IMPURITY]

Common Name

English

2-METHYL-1,2,3,4-TETRAHYDROISOQUINOLINE-4,8-DIOL HYDROCHLORIDE MONOHYDRATE,(R)

Systematic Name

English

Code System Code Type Description

RS_ITEM_NUM

1533261

Created by admin on Sat Dec 16 10:33:06 GMT 2023 , Edited by admin on Sat Dec 16 10:33:06 GMT 2023

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CAS

1007885-60-0

Created by admin on Sat Dec 16 10:33:06 GMT 2023 , Edited by admin on Sat Dec 16 10:33:06 GMT 2023

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FDA UNII

PYP30I3HVC

Created by admin on Sat Dec 16 10:33:06 GMT 2023 , Edited by admin on Sat Dec 16 10:33:06 GMT 2023

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PUBCHEM

135121341

Created by admin on Sat Dec 16 10:33:06 GMT 2023 , Edited by admin on Sat Dec 16 10:33:06 GMT 2023

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Related Record Type Details


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PHENYLEPHRINE HYDROCHLORIDE

PARENT -> IMPURITY