| CAS Number | 361441-96-5 |
| Catalog Number | AG00CLK6(AGN-PC-0RBNNI) |
| Chemical Name | (alphaS)-alpha-[[(1R)-2-Hydroxy-1-phenylethyl]aMino]-tricyclo[3.3.1.1(3,7)]decane-1-acetic acid hydrochloride |
| IUPAC Name | (2S)-2-(1-adamantyl)-2-[[(1R)-2-hydroxy-1-phenylethyl]amino]acetic acid;hydrochloride |
| InChI | InChI=1S/C20H27NO3.ClH/c22-12-17(16-4-2-1-3-5-16)21-18(19(23)24)20-9-13-6-14(10-20)8-15(7-13)11-20;/h1-5,13-15,17-18,21-22H,6-12H2,(H,23,24);1H/t13?,14?,15?,17-,18+,20?;/m0./s1 |
| InChI Key | YXFJXPVSWHATJI-HYQGWMGQSA-N |
| MDL Number | MFCD29035171 |
| Molecular Formula | C20H28ClNO3 |
| Molecular Weight | 365.8942 |
| SMILES | [C@@H](N[C@@H](CO)c1ccccc1)(C(=O)O)C12CC3CC(C2)CC(C1)C3.Cl |
| Synonyms | 361441-96-5,
(S)-2-(Adamantan-1-yl)-2-(((R)-2-hydroxy-1-phenylethyl)amino)acetic acid hydrochloride,
(alphaS)-alpha-[[(1R)-2-Hydroxy-1-phenylethyl]amino]-tricyclo[3.3.1.1(3,7)]decane-1-acetic acid hydrochloride,
(alphaS)-alpha-[[(1R)-2-Hydroxy-1-phenylethyl]amino]-tricyclo[3.3.1.1(3,7)]decane-1-acetic acid HCl,
KS-00000SVB,
MFCD29035171,
AKOS025287135,
DS-9236,
2-(2S)-[N-(1R)-1-Hydroxybenzyl]aminoadamantaneacetic acid HCl,
(S)-2-((3S,5S,7S)-adamantan-1-yl)-2-(((R)-2-hydroxy-1-phenylethyl)amino)acetic acid hydrochloride,
YXFJXPVSWHATJI-HYQGWMGQSA-N,
ACN-031827,
CID11748881,
(2S)-2-(1-adamantyl)-2-[[(1S)-2-hydroxy-1-phenyl-ethyl]amino]acetic Acid Hydrochloride,
Tricyclo[3.3.1.13,7]decane-1-acetic acid, a-[[(1R)-2-hydroxy-1-phenylethyl]amino,
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| Complexity | 430 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 365.176g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 25 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 4 |
| Isotope Atom Count | 0 |
| Molecular Weight | 365.898g/mol |
| Monoisotopic Mass | 365.176g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 69.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
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Hazard Class
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Hazard statements
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H302-H315-H319-H335
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Packing Group
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Precautionary statements
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P261-P305+P351+P338
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UN Code
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Certificate of Analysis
Lot Number