AG0032T7

110117-83-4 | 1-Methyl-D-tryptophan

AG0032T7

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CAS Number	110117-83-4
Catalog Number	AG0032T7(AGN-PC-0NXAXM)
Chemical Name	1-Methyl-D-tryptophan
IUPAC Name	(2R)-2-amino-3-(1-methylindol-3-yl)propanoic acid
InChI	InChI=1S/C12H14N2O2/c1-14-7-8(6-10(13)12(15)16)9-4-2-3-5-11(9)14/h2-5,7,10H,6,13H2,1H3,(H,15,16)/t10-/m1/s1
InChI Key	ZADWXFSZEAPBJS-SNVBAGLBSA-N
MDL Number	MFCD00274271
Molecular Formula	C12H14N2O2
Molecular Weight	218.2518
NSC Number	721782
SMILES	CN1C=C(C[C@@H](N)C(=O)O)C2=CC=CC=C12
UNII	TX5CYN1KMZ
Synonyms	1-methyl-DL-Trp, 1-methyltryptophan, indoximod, 1-Methyl-D-tryptophan, Indoximod, 110117-83-4, D-Tryptophan, 1-methyl-, D-1MT, Indoximod (NLG-8189), D-1-methyltryptophan, UNII-TX5CYN1KMZ, D-(+)-1-Methyltryptophan, TX5CYN1KMZ, (R)-2-amino-3-(1-methyl-1H-indol-3-yl)propanoic acid, NLG-8189, (2R)-2-amino-3-(1-methylindol-3-yl)propanoic acid, NSC-721782, (2R)-2-amino-3-(1-methyl-3-indolyl)propanoic acid, (2R)-2-azanyl-3-(1-methylindol-3-yl)propanoic acid, 1-MT, (2R)-2-amino-3-(1-methyl-1H-indol-3-yl)propanoic acid, D-l-Methyltryptophan, Indoximod [USAN:INN], NLG 8189, indoximod-nlg-8189, PubChem10617, D-Trp(Me)-OH, 1-Methyl-D-tryptophane, Indoximod (USAN/INN), D-Tryptophen, 1-methyl-, AC1L8OC2, AC1Q3YR9, AC1Q5R0Q, SCHEMBL934800, 1-Methyl-D-tryptophan, 95%, CHEMBL571209, GTPL8226, CTK0H9471, ZINC39102, Indoximod (NLG-8189 pound(c), ZADWXFSZEAPBJS-SNVBAGLBSA-N, KS-000018KA, BDBM50207089, MFCD00274271, NSC721782, s7756, AKOS015850753, AKOS015898463, CS-4941, DB12827, RTR-002117, SB16903, SMP2_000028, NCGC00346842-01, AJ-08821, AK-25289, AS-15999, HY-16724, R767, AX8030153, DB-002380, NLG-8189; D1MT; 1-methyl-D-tryptophan, TR-002117, B4900, FT-0695121, A14397, D10640, M-1971, A802144, I10-0489, J-002381, (2R)-2-amino-3-(1-methylindol-3-yl)propionic acid, BRD-K93255255-001-01-3, 1-Methyltryptophan, 1-Me-D-Trp-OH, D0B5HS, NLG8189, C12H14N2O2, AR-1C4696, CID405012, ACN-033657, CB10621, 1MT, 2712-85-8,

Complexity	270
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	218.106g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	218.256g/mol
Monoisotopic Mass	218.106g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	68.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-1.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

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