CAS 3916-18-5 MFCD00004266-Tyrosine, beta,3-dihydroxy- rel-(2R,3S)-2-氨基-3-(3,4-二羟基苯基)-3-羟基丙酸 TAO{mole}

Tyrosine, beta,3-dihydroxy- rel-(2R,3S)-2-氨基-3-(3,4-二羟基苯基)-3-羟基丙酸

CAS 3916-18-5 MFCD00004266

化学结构图

SMILES: NC(C(=O)O)C(O)c1ccc(O)c(O)c1

化学属性

Mol. Formula	C9H11NO5
Mol. Weight	213.19
Melting Point	202-205 °C
Boiling Point	549.8±50.0 °C at 760 mmHg

别名和识别编码

Chemical Name	Tyrosine, beta,3-dihydroxy-
MDL Number	MFCD00004266
CAS Number	3916-18-5
Chemical Name Translation	rel-(2R,3S)-2-氨基-3-(3,4-二羟基苯基)-3-羟基丙酸
InChIKey	QXWYKJLNLSIPIN-JAMMHHFISA-N
Synonym	rel-(2R,3S)-2-Amino-3-(3,4-dihydroxyphenyl)-3-hydroxypropanoic acid {LY} rel-(2R,3S)-2-Amino-3-(3,4-dihydroxyphenyl)-3-hydroxypropanoic acid {} {LY} rel-(2R,3S)-2-Amino-3-(3,4-dihydroxyphenyl)-3-hydroxypropanoic acid {} {} {LY} rel-(2R,3S)-2-Amino-3-(3,4-dihydroxyphenyl)-3-hydroxypropanoic acid {} {} {} {LY} rel-(2R,3S)-2-Amino-3-(3,4-dihydroxyphenyl)-3-hydroxypropanoic acid {} {} {} {} {LY} rel-(2R,3S)-2-Amino-3-(3,4-dihydroxyphenyl)-3-hydroxypropanoic acid {} {} {} {} {} {LY} rel-(2R,3S)-2-Amino-3-(3,4-dihydroxyphenyl)-3-hydroxypropanoic acid {} {} {} {} {} {} {LY} rel-(2R,3S)-2-Amino-3-(3,4-dihydroxyphenyl)-3-hydroxypropanoic acid {} {} {} {} {} {} {} {LY} rel-(2R,3S)-2-Amino-3-(3,4-dihydroxyphenyl)-3-hydroxypropanoic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} rel-(2R,3S)-2-Amino-3-(3,4-dihydroxyphenyl)-3-hydroxypropanoic acid {} {} {} {} {} {} {} {} {} {LY} rel-(2R,3S)-2-Amino-3-(3,4-dihydroxyphenyl)-3-hydroxypropanoic acid
PubChem Substance ID	92974
Wiswesser Line Notation	QVYZYQR CQ DQ
Beilstein Registry Number	2852792
InChI	InChI=1S/C9H11NO5/c10-7(9(14)15)8(13)4-1-2-5(11)6(12)3-4/h1-3,7-8,11-13H,10H2,(H,14,15)/t7-,8+/m0/s1
Canonical SMILES	N[C@H]([C@@H](O)C1=CC=C(O)C(O)=C1)C(O)=O

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安全信息

Safety Statements

S26 In case of contact with eyes, rinse immediately with plenty of water and seek medical advice 眼睛接触后，立即用大量水冲洗并征求医生意见；

Hazard Codes Xi

GHS Symbol

Precautionary statements

P261 Avoid breathing dust/fume/gas/mist/vapours/spray. 避免吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
P305+P351+P338

WGK Germany3

Signal word Warning

Risk Statements

R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性

RTECSVT9626000

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : >10 gm/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   JKXXAF Japanese Kokai Tokyo Koho Patents.  (U.S. Patent and Trademark
   Office, Foreign Patents, Washington, DC 20231)  Volume(issue)/page/year:
   #81-104815

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 10 gm/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   JKXXAF Japanese Kokai Tokyo Koho Patents.  (U.S. Patent and Trademark
   Office, Foreign Patents, Washington, DC 20231)  Volume(issue)/page/year:
   #81-104815

Storage condition