AG00IBRL

67915-31-5 | Piperazine,1-[4-[[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]-4-(1-methylethyl)-, rel-

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CAS Number	67915-31-5
Catalog Number	AG00IBRL(AGN-PC-0TQGBY)
Chemical Name	Piperazine,1-[4-[[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]-4-(1-methylethyl)-, rel-
EC Number	267-751-6
IUPAC Name	1-[4-[[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]-4-propan-2-ylpiperazine
InChI	InChI=1S/C26H31Cl2N5O3/c1-19(2)31-9-11-32(12-10-31)21-4-6-22(7-5-21)34-14-23-15-35-26(36-23,16-33-18-29-17-30-33)24-8-3-20(27)13-25(24)28/h3-8,13,17-19,23H,9-12,14-16H2,1-2H3/t23-,26-/m0/s1
InChI Key	BLSQLHNBWJLIBQ-OZXSUGGESA-N
MDL Number	MFCD05662369
Molecular Formula	C26H31Cl2N5O3
Molecular Weight	532.4620
NSC Number	760361
SMILES	CC(N1CCN(C2=CC=C(OC[C@@H]3O[C@](C4=CC=C(Cl)C=C4Cl)(CN5N=CN=C5)OC3)C=C2)CC1)C
Synonyms	1-(4-((2-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl)methoxy)phenyl)-4-(1-methylethyl)piperazine, Fungistat, Gyno-Terazol, R 42470, Terazol, terconazole, terconazole, 67915-31-5, Gyno-Terazol, Terazol 3, Terazol 7, Triaconazole, Terazol, Fungistat, C26H31Cl2N5O3, Terconazol, Terconazolum, Zazole, CHEBI:82980, Terazol 7 & 3, Terconazol [INN-Spanish], Terconazolum [INN-Latin], R-42470, 1-[4-[[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]-4-propan-2-ylpiperazine, Terazol Cream & Suppositories, EINECS 267-751-6, NSC 331942, R 42,470, Panlomyc, Tercospor, Terconazole [USAN:INN:BAN], NCGC00016912-01, cis-1-(p-((2-(2,4-Dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl)methoxy)phenyl)-4-isopropylpiperazine, CAS-67915-31-5, Terazol 3 (TN), (2R,4S)-terconazole, Prestwick3_000495, Terconazole (USAN/INN), AC1L9B2M, rel-(2S,4S)-Terconazole, CHEMBL1306, DSSTox_CID_25498, DSSTox_RID_80917, DSSTox_GSID_45498, R 42470, SCHEMBL23165, BSPBio_000389, MLS002153844, BIDD:GT0705, BPBio1_000429, DTXSID2045498, HMS2096D11, HMS2233C22, HMS3713D11, Pharmakon1600-01503847, HY-B1790, Piperazine, 1-(4-(((2R,4S)-2-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl)methoxy)phenyl)-4-(1-methylethyl)-, rel-, Piperazine, 1-(4-((2-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl)methoxy)phenyl)-4-(1-methylethyl)-, cis-, ZINC3873936, Tox21_110679, BDBM50375318, CT0256, KM1155, MFCD05662369, NSC760361, AKOS016846147, CCG-213216, CS-6456, DB00251, KS-1463, NSC-760361, KS-00000H43, NCGC00179575-01, 1-(4-((2-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl)methoxy)phenyl)-4-(1-methylethyl)piperazine, AS-14153, SMR001233206, AX8152619, LS-176634, AB00513849, C08080, D00888, AB00513849_07, 915T315, SR-01000841196, J-008500, SR-01000841196-2, BRD-K86204871-001-02-2, BRD-K86204871-001-13-9, UNII-0KJ2VE664U component BLSQLHNBWJLIBQ-OZXSUGGESA-N, 1-(4-{[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)-4-(propan-2-yl)piperazine, 1-(4-{[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)-4-isopropylpiperazine, 1-(4-{[(2R,4S)-2-(2,4-dichlorophenyl)-2-[(1H-1,2,4-triazol-1-yl)methyl]-1,3-dioxolan-4-yl]methoxy}phenyl)-4-(propan-2-yl)piperazine, 1-[4-[[(2R)-2alpha-(2,4-Dichlorophenyl)-2beta-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4beta-yl]methoxy]phenyl]-4-(1-methylethyl)piperazine, Piperazine,1-[4-[[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]-4-(1-methylethyl)-, rel-, UNII-0KJ2VE664U, Terconazole [USAN:BAN:INN], Terconazole [USAN:USP:INN:BAN], C26-H31-Cl2-N5-O3, CID441383, CS-O-30782, K117, C037815,

Complexity	693
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Exact Mass	531.18g/mol
Formal Charge	0
Heavy Atom Count	36
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	532.466g/mol
Monoisotopic Mass	531.18g/mol
Rotatable Bond Count	8
Topological Polar Surface Area	64.9A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	4.8

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335-H413
Packing Group
Precautionary statements	P261-P273-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number