AG007MG3

134234-12-1 | (1S,2S)-1-(4-HYDROXYPHENYL)-2-(4-HYDROXY-4-PHENYLPIPERIDINO)-1-PROPANOL

AG007MG3

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CAS Number	134234-12-1
Catalog Number	AG007MG3(AGN-PC-0PK8DQ)
Chemical Name	(1S,2S)-1-(4-HYDROXYPHENYL)-2-(4-HYDROXY-4-PHENYLPIPERIDINO)-1-PROPANOL
IUPAC Name	1-[(1S,2S)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]-4-phenylpiperidin-4-ol
InChI	InChI=1S/C20H25NO3/c1-15(19(23)16-7-9-18(22)10-8-16)21-13-11-20(24,12-14-21)17-5-3-2-4-6-17/h2-10,15,19,22-24H,11-14H2,1H3/t15-,19+/m0/s1
InChI Key	QEMSVZNTSXPFJA-HNAYVOBHSA-N
MDL Number	MFCD00926469
Molecular Formula	C20H25NO3
Molecular Weight	327.4174
SMILES	OC1(C2=CC=CC=C2)CCN([C@@H](C)[C@@H](O)C3=CC=C(O)C=C3)CC1
UNII	UTC046R5HM
Synonyms	1-(4-hydroxyphenyl)-2-(4-hydroxy-4-phenylpiperidino)-1-propanol, CP 101,606, CP-101,606, CP-101606, CP101,606, traxoprodil, traxoprodil mesylate, Traxoprodil, 134234-12-1, 1-((1S,2S)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl)-4-phenylpiperidin-4-ol, Traxoprodil [INN], CP 101606, CP-101606, traxoprodil(cp-101,606), CP-101,606, UNII-UTC046R5HM, CP 98113, UTC046R5HM, 1-[(1s,2s)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]-4-phenylpiperidin-4-ol, CHEMBL17350, ( )-CP 101606, MFCD00926469, CP101606, (1S,2S)-1-(4-Hydroxy-phenyl)-2-(4-hydroxy-4-phenylpiperidino)-1-propanol, 1-[(1s,2s)-2-hydroxy-2-(4-hydroxyphenyl)-1-methylethyl]-4-phenylpiperidin-4-ol, 1-Piperidineethanol, 4-hydroxy-alpha-(4-hydroxyphenyl)-beta-methyl-4-phenyl-, (S-(R*,R*))-, 1-Piperidineethanol, 4-hydroxy-alpha-(4-hydroxyphenyl)-beta-methyl-4-phenyl-, (alphaS,betaS)-, nective, CP 101,606, AK-88574, AC1Q59EY, SCHEMBL4248, (1S,2S)-1-(4-HYDROXYPHENYL)-2-(4-HYDROXY-4-PHENYLPIPERIDINO)-1-PROPANOL, MLS006010672, GTPL4163, ZINC5936, CTK4B9047, KS-00000PUA, DTXSID90158605, QEMSVZNTSXPFJA-HNAYVOBHSA-N, AC1L5621, BCP13195, ANW-45760, BDBM50032651, AKOS015959795, API0009242, BCP9000547, CS-W018847, HY-W018061, SB12104, NCGC00386543-02, AJ-08259, AN-16934, SMR004701654, AX8227428, LS-184042, RT-016109, ST2403023, BB 0261961, FT-0699302, X9873, Q-9486, 8Y-7002, CP-101,606, >=98% (HPLC), J-006502, BRD-K38158531-001-01-3, (1 S,2S)-1-(4-hydroxyphenyl)-2-(4-hydroxy-4-phenylpiperidin-1-yl)-1-propanol, (1S,2S)-1-(4-hydroxyphenyl)-2-(4-hydroxy-4-phenylpiperidin-1-yl)-1-propanol, 1-[(1S,2S)-2-Hydroxy-2-(4-hydroxy-phenyl)-1-methyl-ethyl]-4-phenyl-piperidin-4-ol, 1-[(1S,2S)-2-hydroxy-2-(4-hydroxyphenyl)-1-methyl-ethyl]-4-phenyl-piperidin-4-ol, 1-[(S)-2-(S)-Hydroxy-2-(4-hydroxy-phenyl)-1-methyl-ethyl]-4-phenyl-piperidin-4-ol, Traxoprodil; (1S,2S)-1-(4-hydroxy-phenyl)-2-(4-hydroxy-4-phenylpiperidino)-1-propanol; CP-101606, Traxoprodil mesylate, Prop INNM >, D00YLM, D0XQ7J, Traxoprodil mesylate < USAN, C20H25NO3, KST-1B0691, AR-1B8535, C20-H25-N-O3, CID219101, -1- -2- -1-PROPANOL, CP101,606, CP-101606-27, C095106, C-101,606, 1-(4-hydroxyphenyl)-2-(4-hydroxy-4-phenylpiperidino)-1-propanol, 15571-11-6, (S,S)-1-(4-Hydroxyphenyl)-2-[4-hydroxy-4-phenylpiperidin-1-yl)-1-propanol methanesulfonate trihydrate,

Complexity	380
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Exact Mass	327.183g/mol
Formal Charge	0
Heavy Atom Count	24
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	327.424g/mol
Monoisotopic Mass	327.183g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	63.9A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.3

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

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