Basic information
- CAS
172499-31-9- Standard SMILES
CC(C)[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)OCc1ccccc1.Cl- InChIKey
WQZKTGMHLDJLKO-FKLPMGAJSA-N- Molecular formula
- C22H27ClN2O3
- Average molar mass
- 402.9 g/mol
Names & identifiers
- Preferred name
- (S)-Benzyl 2-((S)-2-amino-3-methylbutanoyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylate hydrochloride
- IUPAC
- benzyl (3S)-2-[(2S)-2-amino-3-methylbutanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate;hydrochloride
- English name
- L-N-Valyl-L-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid benzyl ester HCl
- Molecular formula
- C22H26N2O3.ClH
- Molecular weight
- 402.92
Names & synonyms
166169-15-9172499-31-9L-N-Valyl-L-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid benzyl ester hydrochlorideL-N-Valyl-L-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid benzyl ester HCl(S)-Benzyl 2-((S)-2-amino-3-methylbutanoyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylate hydrochlorideMFCD00798227(S,S)-2-(2-Amino-3-methyl-butyryl)-1,2,3,4-tetrahydro-isoquinoline-3-carboxylic acid benzyl ester, HCl(S,S)-2-(2-AMINO-3-METHYL-BUTYRYL)-1,2,3,4-TETRAHYDRO-ISOQUINOLINE-3-CARBOXYLIC ACID BENZYL ESTER, Hbenzyl (3S)-2-[(2S)-2-amino-3-methylbutanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate;hydrochlorideC22H27ClN2O3Benzyl(S)-2-(L-valyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylatehydrochloride3-Isoquinolinecarboxylic acid, 2-(2-amino-3-methyl-1-oxobutyl)-1,2,3,4-tetrahydro-, phenylmethyl ester, [S-(R*,R*)]- (9CI)
Show more names
Benzyl 2-((S)-2-amino-3-methylbutanoyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylate hydrochloride
AKOS016002860AC-6476L-N-Valyl-L-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid benzyl ester, HClAS-39182CS-0171928(S)-Benzyl2-((S)-2-amino-3-methylbutanoyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylatehydrochloride(S,S)-2-(2-amino-3-methyl-butyryl)-1,2,3,4-tetrahydro-isoquinoline-3-carboxylic acid benzyl ester hydrochloridebenzyl (3S)-2-[(2S)-2-amino-3-methyl-butanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate;hydrochloride
Properties
Computed structural properties
- Topological polar surface area
- 72.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 516
Physicochemical properties
- storage temp.
- Sealed in dry,Room Temperature
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P280-P301+P312-P302+P352-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P280-P301+P312-P302+P352-P305+P351+P338
Chemistry & industry
Suppliers2 total
成都赛诺宁科技有限公司28-87999436 02887999436 · [email protected]
Alchem Pharmtech,Inc.8485655694 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…