AG00I9L2

53716-49-7 | 2-(6-chloro-9H-carbazol-2-yl)-3,3,3-trideuteriopropanoic acid

AG00I9L2

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CAS Number	53716-49-7
Catalog Number	AG00I9L2(AGN-PC-07A1TS)
Chemical Name	2-(6-chloro-9H-carbazol-2-yl)-3,3,3-trideuteriopropanoic acid
EC Number	258-712-4
IUPAC Name	2-(6-chloro-9H-carbazol-2-yl)propanoic acid
InChI	InChI=1S/C15H12ClNO2/c1-8(15(18)19)9-2-4-11-12-7-10(16)3-5-13(12)17-14(11)6-9/h2-8,17H,1H3,(H,18,19)
InChI Key	PUXBGTOOZJQSKH-UHFFFAOYSA-N
MDL Number	MFCD00079028
Molecular Formula	C15H12ClNO2
Molecular Weight	273.7143
SMILES	CC(C1=CC(NC2=C3C=C(Cl)C=C2)=C3C=C1)C(O)=O
Synonyms	(+-)-isomer of carprofen, (R)-isomer of carprofen, (S)-isomer of carprofen, C 5720, carprofen, carprofen, (+-)-isomer, carprofen, (R)-isomer, carprofen, (S)-isomer, Ro 20-5720, Ro 205720, carprofen, 53716-49-7, 2-(6-Chloro-9H-carbazol-2-yl)propanoic acid, Imadyl, Rimadyl, Ridamyl, Carprofene, Carprofeno, Carprofenum, Carprofene [INN-French], Carprofenum [INN-Latin], Carprofeno [INN-Spanish], 6-Chloro-alpha-methyl-9H-carbazole-2-acetic acid, Carprofeno [Spanish], 6-Chloro-alpha-methylcarbazole-2-acetic acid, Ro 20-5720/000, Ro 20-5720, C15H12ClNO2, C 5720, CCRIS 3507, (+-)-6-Chloro-alpha-methylcarbazole-2-acetic acid, EINECS 258-712-4, MFCD00079028, NSC 297935, BRN 0487098, CHEMBL1316, 52263-47-5, CHEBI:364453, 2-(6-Chloro-9H-carbazol-2-yl)-propionic acid, PUXBGTOOZJQSKH-UHFFFAOYSA-N, NSC297935, (+/-)-2-(3-chloro-9H-carbazol-7-yl)propanoic acid, NCGC00094937-01, Carprodyl, Ro-205720000, DSSTox_CID_25871, DSSTox_RID_81189, DSSTox_GSID_45871, (.+-.)-6-Chloro-.alpha.-methylcarbazole-2-acetic acid, Carpaquin, Norocarp, 9H-CARBAZOLE-2-ACETIC ACID, 6-CHLORO-alpha-METHYL-, (+-)-, (+-)-isomer of carprofen, SMR000718633, Carprofen [USAN:INN:BAN], Rimadyl (TN), Ro 205720, CAS-53716-49-7, SR-01000837515, Carprofen (USAN/INN), Carprofene-D3, Carprofen [USAN:USP:INN:BAN], PubChem9953, Ro-20-5720, AC1L1DZZ, Spectrum2_001236, Spectrum3_000939, Spectrum4_001038, Spectrum5_001802, Ro-20-5720/000, SCHEMBL3909, (+-)-6-Chlor-alpha-methyl-2-carbazolessigsaeure, KBioGR_001595, 5-22-03-00391 (Beilstein Handbook Reference), MLS001201778, MLS001306441, SPECTRUM1502006, SPBio_001112, 6-Chlor-alpha-methyl-carbazol-2-essigsaeure [German], GTPL7141, 9H-Carbazole-2-acetic acid, 6-chloro-.alpha.-methyl-, Carprofen, >=97% (HPLC), DTXSID1045871, CTK1H1347, KBio3_001978, HMS1921D04, HMS2092B16, HMS2234P15, HMS3652E20, HMS3715F09, Pharmakon1600-01502006, ACT03356, HY-B1227, KS-00000L9B, Tox21_111363, 9H-Carbazole-2-acetic acid, 6-chloro-.alpha.-methyl-, (.+-.)-, BBL009935, BDBM50097346, CCG-39146, NSC758154, STK711093, 9H-Carbazole-2-acetic acid, (-)-, AKOS005530663, Tox21_111363_1, AC-1266, CS-4875, DB00821, KS-1163, LS41073, MCULE-9476030813, NE55949, NSC-297935, NSC-758154, NCGC00094937-02, NCGC00094937-04, NCGC00094937-05, 9H-Carbazole-2-acetic acid, (.+-.)-, AK343600, AN-15093, BC219352, LS-51673, LS-51674, SC-46095, SBI-0052885.P002, AB0012886, AB2000760, TC-030491, FT-0602833, S4136, SW199610-3, 6-chloro-alpha-methyl-carbazole-2-acetic acid, Carprofen, VETRANAL(TM), analytical standard, C18364, D03410, J10272, 2-(6-chloranyl-9H-carbazol-2-yl)propanoic acid, 6-Chloro-|A-methyl-9H-carbazole-2-acetic acid, AB00876263_06, AB00876263_07, ( -)-6-Chlor-alpha-methyl-2-carbazolessigsaeure, 716C497, A829748, I06-0673, SR-01000837515-2, SR-01000837515-3, BRD-A17411484-001-05-1, Z1814381791, 2-(6-Chloro-9H-carbazol-2-yl)-propionic acid(carprofen), 9H-CARBAZOLE-2-ACETIC ACID, 6-CHLORO-alpha-METHYL-, Carprofen, European Pharmacopoeia (EP) Reference Standard, 9H-Carbazole-2-acetic acid, 6-chloro-.alpha.-methyl-, (-)-, Carprofen, United States Pharmacopeia (USP) Reference Standard, 2-(6-chloro-9H-carbazol-2-yl)-3,3,3-trideuteriopropanoic acid, Carprofen, Pharmaceutical Secondary Standard; Certified Reference Material, Carprofen for system suitability, European Pharmacopoeia (EP) Reference Standard, Novox, (R)-Carprofen, (S)-Carprofen, rac Carprofen-d3, carprofen, (R)-isomer, carprofen, (S)-isomer, UNII-FFL0D546HO, (R)-isomer of carprofen, (S)-isomer of carprofen, carprofen, (+-)-isomer, D0IT2X, FFL0D546HO, Carprofen [USAN:BAN:INN], C15-H12-Cl-N-O2, CID2581, ACN-048193, Ro-205720, 6-Chlor-alpha-methyl-carbazol-2-essigsaeure, H092, C-5720, 9H-Carbazole-2-acetic acid, 6-chloro-.al, C2701, Carprofen, 98%, a COX2 inhibitor - 1G 1g, (-)-6-Chlor-alpha-methyl-2-carbazolessigsaeure, C007005, (+/-)-6-Chloro-.alpha.-methylcarbazole-2-acetic acid, 9H-Carbazole-2-acetic acid, 6-chloro-.alpha.-methyl-, (.+.)-, 52263-83-9, 9H-Carbazole-2-acetic acid, 6-chloro-.alpha.-methyl-, (.alpha.R)-, 1173019-42-5, 52263-84-0,

Complexity	362
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	273.056g/mol
Formal Charge	0
Heavy Atom Count	19
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	273.716g/mol
Monoisotopic Mass	273.056g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	53.1A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H317-H319
Packing Group	Ⅲ
Precautionary statements	P280-P305+P351+P338
UN Code	UN 2811

Certificate of Analysis

Lot Number