AG00AOPA

171752-68-4 | (1R,3R)-9H-PYRIDO[3,4-B]INDOLE-3-CARBOXYLIC ACID, 1,2,3,4-TETRAHYDRO-1-(3,4-METHYLENEDIOXYPH ENYL), METHYL ESTER, HYDROCHLORIDE

AG00AOPA

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CAS Number	171752-68-4
Catalog Number	AG00AOPA(AGN-PC-0Q9YAI)
Chemical Name	(1R,3R)-9H-PYRIDO[3,4-B]INDOLE-3-CARBOXYLIC ACID, 1,2,3,4-TETRAHYDRO-1-(3,4-METHYLENEDIOXYPH ENYL), METHYL ESTER, HYDROCHLORIDE
IUPAC Name	methyl (1R,3R)-1-(1,3-benzodioxol-5-yl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate;hydrochloride
InChI	InChI=1S/C20H18N2O4.ClH/c1-24-20(23)15-9-13-12-4-2-3-5-14(12)21-19(13)18(22-15)11-6-7-16-17(8-11)26-10-25-16;/h2-8,15,18,21-22H,9-10H2,1H3;1H/t15-,18-;/m1./s1
InChI Key	ROYJOKDTCKPQHK-KQKCUOLZSA-N
MDL Number	MFCD09842269
Molecular Formula	C20H19ClN2O4
Molecular Weight	386.8289
SMILES	Cl.O1COC2=C1C=CC(=C2)[C@H]2N[C@H](CC1=C2NC2=CC=CC=C12)C(=O)OC
Synonyms	171752-68-4, (1R,3R)-METHYL 1-(BENZO[D][1,3]DIOXOL-5-YL)-2,3,4,9-TETRAHYDRO-1H-PYRIDO[3,4-B]INDOLE-3-CARBOXYLATE HYDROCHLORIDE, (1R,3R)-9H-PYRIDO[3,4-B]INDOLE-3-CARBOXYLIC ACID, 1,2,3,4-TETRAHYDRO-1-(3,4-METHYLENEDIOXYPH ENYL), METHYL ESTER, HYDROCHLORIDE, Intermediates of Tadalafil:(1R,3R)-9H-pyrido[3,4-b]indole-3-carboxylic acid, 1,2,3,4-tetrahydro-1-(3,4-methylenedioxyph enyl), methyl ester, cis isomer, hydrochloride, ROYJOKDTCKPQHK-KQKCUOLZSA-N, AK-59920, SCHEMBL1784776, DTXSID80465279, KS-00000LB5, MFCD09842269, AKOS015888840, (1R,3R)-9H-pyrido[3,4-b]indole-3-carboxylic acid, 1,2,3,4-tetrahydro-1-(3,4-methylenedioxyph enyl), methyl ester, cis isomer, hydrochloride, AC-20139, BC216132, cis-(1R,3R)-1,2,3,4-Tetrahydro-1-(3,4-methylenedioxyphenyl)-9H-pyrido[3,4-b]indole-3-carboxylic acid methyl ester hydrochloride, DS-16361, FT-0696984, FT-0696985, ST24033583, methyl (1R,3R)-1,2,3,4-tetrahydro-1-(3,4-methylenedioxyphenyl)-9H-pyrido[3,4-b]indole-3-carboxylate hydrochloride, methyl (1R,3R)-1-(1,3-benzodioxol-5-yl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate hydrochloride, methyl (1R,3R)-1-(2H-1,3-benzodioxol-5-yl)-1H,2H,3H,4H,9H-pyrido[3,4-b]indole-3-carboxylate hydrochloride, Methyl (1R,3R)-1-(2H-1,3-benzodioxol-5-yl)-2,3,4,9-tetrahydro-1H-beta-carboline-3-carboxylate--hydrogen chloride (1/1), ACN-056639, CS-O-20035, CID11417803, CID 11417803, (1R,3R)-9H-PYRIDO[3,4-b]INDOLE-3-CARBOXYLICACID, 1R,3R)-Methyl 1-(benzo[d][1,3]dioxol-5-yl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate hy,

Complexity	544
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Exact Mass	386.103g/mol
Formal Charge	0
Heavy Atom Count	27
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	386.832g/mol
Monoisotopic Mass	386.103g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	72.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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