![Chemical structure of 1,2-Benzenediol, 4-[(1S)-1-hydroxy-2-(methylamino)ethyl]-, CAS 150-05-0](https://api.angenesci.com/structure/2594/150-05-0.png)
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| CAS Number | 150-05-0 |
| Catalog Number | AG001M7J(AGN-PC-0O41RI) |
| Chemical Name | 1,2-Benzenediol, 4-[(1S)-1-hydroxy-2-(methylamino)ethyl]- |
| EC Number | 205-752-5 |
| IUPAC Name | 4-[(1S)-1-hydroxy-2-(methylamino)ethyl]benzene-1,2-diol |
| InChI | InChI=1S/C9H13NO3/c1-10-5-9(13)6-2-3-7(11)8(12)4-6/h2-4,9-13H,5H2,1H3/t9-/m1/s1 |
| InChI Key | UCTWMZQNUQWSLP-SECBINFHSA-N |
| MDL Number | MFCD01732797 |
| Molecular Formula | C9H13NO3 |
| Molecular Weight | 183.2044 |
| NSC Number | 62786 |
| SMILES | CNC[C@H](c1ccc(c(c1)O)O)O |
| UNII | NA71GR3TNV |
| Synonyms | 4-(1-Hydroxy-2-(methylamino)ethyl)-1,2-benzenediol,
Acetate, Epinephrine,
Adrenaline,
Adrenaline Acid Tartrate,
Adrenaline Bitartrate,
Adrenaline Hydrochloride,
Epifrin,
Epinephrine,
Epinephrine Acetate,
Epinephrine Bitartrate,
Epinephrine Hydrochloride,
Epinephrine Hydrogen Tartrate,
Epitrate,
Lyophrin,
Medihaler-Epi,
Adrenaline Hydrochloride, Racemic Mixture,
Adrenaline, Racemic,
Adrenaline, Racemic Mixture,
Epinephrine Hydrochloride, Racemic Mixture,
Epinephrine, Racemic,
Epinephrine, Racemic Mixture,
Micronefrin,
Micronephrine,
Racemic Adrenaline,
Racemic Epinephrine,
Racemic Mixture Adrenaline,
Racemic Mixture Epinephrine,
Racepinephrine,
Racepinephrine Hydrochloride,
Vaponefrin,
(S)-adrenaline,
(+)-adrenaline,
150-05-0,
UNII-NA71GR3TNV,
d-Adrenaline,
D-Epinephrine,
(S)-(+)-adrenaline,
NA71GR3TNV,
CHEMBL42280,
4-[(1S)-1-hydroxy-2-(methylamino)ethyl]benzene-1,2-diol,
CHEBI:40751,
L-(+)-Adrenaline,
Epirenamine,
Suprarenin,
Vaponefrin,
(S)-4-(1-Hydroxy-2-(methylamino)ethyl)pyrocatechol,
Medihaler-Epi,
D-Epifrin,
1,2-Benzenediol,4-[(1S)-1-hydroxy-2-(methylamino)ethyl]-,
EINECS 205-752-5,
ADR ADRENALINE,
BRN 2938799,
Racepinefrine, (S)-,
NSC62786,
l-Suprarenin,
1-Epirenamine,
1-Adrenaline,
BENZYL ALCOHOL, 3,4-DIHYDROXY-alpha-((METHYLAMINO)METHYL)-, (+)-,
(+)-epinephrine,
ALE,
D-(+)-Epinephrine,
ADR L-EPINEPHRINE,
AC1L6KTT,
AC1Q7ABN,
3,4-Dihydroxy-.alpha.-[(methylamino)methyl]benzyl alcohol,
4-[(1R)-1-hydroxy-2-methylamino-ethyl]benzene-1,2-diol,
SCHEMBL11647,
2-13-00-00525 (Beilstein Handbook Reference),
GTPL4450,
CTK4C6501,
UCTWMZQNUQWSLP-SECBINFHSA-,
ZINC39090,
WLN: QR BQ DYQ1M1 -L,
IOP,
BDBM50087512,
NSC-62786,
AKOS006271962,
SDCCGMLS-0066643.P001,
NCGC00178888-01,
AJ-08815,
SBI-0051363.P003,
AB00053471_02,
1, 4-[1-hydroxy-2-(methylamino)ethyl]-, (R)-,
4-[(1S)-1-hydroxy-2-methylaminoethyl]benzene-1,2-diol,
UNII-GR0L9S3J0F component UCTWMZQNUQWSLP-SECBINFHSA-N,
(+)-3,4-dihydroxy-alpha-((methylamino)methyl)benzyl alcohol,
1,2-Benzenediol, 4-[(1S)-1-hydroxy-2-(methylamino)ethyl]-,
Benzyl alcohol,4-dihydroxy-.alpha.-[(methylamino)methyl]-, (-)-,
InChI=1/C9H13NO3/c1-10-5-9(13)6-2-3-7(11)8(12)4-6/h2-4,9-13H,5H2,1H3/t9-/m1/s1,
XDE,
adrenaline,
epinephrine,
L-epinephrine,
l-Adrenaline,
Antiasthmatique,
Esphygmogenina,
Methylarterenol,
Racepinefrine,
Renaglandulin,
Renostypricin,
Renostypticin,
Supracapsulin,
Supranephrane,
Supranephrine,
Suprarenaline,
Vasoconstrictor,
Adnephrine,
Adrenamine,
Adrenatrate,
Adrenohorma,
Astmahalin,
Bernarenin,
Brevirenin,
Epinefrina,
Epinephran,
Glycirenan,
Haemostasin,
Haemostatin,
Hemostasin,
Hemostatin,
Hypernephrin,
Intranefrin,
Levorenine,
Metanephrin,
Myosthenine,
Nephridine,
Paranephrin,
Renagladin,
Renaglandin,
Renaleptine,
Renostyptin,
Scurenaline,
Sindrenina,
Sphygmogenin,
Stryptirenal,
Styptirenal,
Supranefran,
Adrenalin,
Adrenapax,
Adrenasol,
Adrenine,
Adrenodis,
Adrenosan,
Adrenutol,
Astminhal,
Balmadren,
Biorenine,
Bronkaid,
Chelafrin,
Drenamist,
Dylephrin,
Epirenan,
Epirenin,
Epitrate,
Glaucosan,
Hektalin,
Hemisine,
Hyporenin,
Kidoline,
Levorenin,
Lyophrin,
Mucidrina,
Nieraline,
Renalina,
Renoform,
Simplene,
Soladren,
Supradin,
Supranol,
Surenine,
Surrenine,
Susphrine,
Takamina,
Takamine,
Tokamina,
Vasodrine,
Vasotonin,
Adrenal,
Adrenan,
Corisol,
Epifrin,
Exadrin,
Mytrate,
Tonogen,
Vasoton,
Adrine,
Bosmin,
Suprel,
Adrin,
Vasoconstrictine,
Asthma-nefrin,
l-Epirenamine,
Primatene Mist,
Asmatane Mist,
Bronkaid Mist,
Dyspne-Inhal,
Sympathin I,
Sus-Phrine,
1-Epinephrine,
Adrenalin in Oil,
(R)-Epinephrine,
Asthma meter mist,
(-)-Epinephrine,
Adrenalin-Medihaler,
(-)-Adrenaline,
Adrenaline bitartrate,
component of E-Pilo,
component of Epitrate,
Epinephrine bitartrate,
l-Epinephrine (synthetic),
C9H13NO3,
C9-H13-N-O3,
AR-1D7864,
CID247704,
l-1-(3,4-Dihydroxyphenyl)-2-methylaminoethanol,
(S)-4-[1-HYDROXY-2-(METHYLAMINO)ETHYL]PYROCATECHOL,
1,2-Benzenediol, 4-(1-hydroxy-2-(methylamino)ethyl)-, (S)-,
51-43-4,
5472-22-0,
|
| Complexity | 154 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 183.09g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 4 |
| Isotope Atom Count | 0 |
| Molecular Weight | 183.207g/mol |
| Monoisotopic Mass | 183.09g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 72.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -1.4 |
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