AG01EOAR

Name: Olcegepant hydrochloride
Brand: Angene Chemical
SKU: AG01EOAR

586368-06-1 | Olcegepant hydrochloride

AG01EOAR

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CAS Number	586368-06-1
Catalog Number	AG01EOAR(AGN-PC-0SQ7HI)
Chemical Name	Olcegepant hydrochloride
IUPAC Name	N-[(2R)-1-[[(2S)-6-amino-1-oxo-1-(4-pyridin-4-ylpiperazin-1-yl)hexan-2-yl]amino]-3-(3,5-dibromo-4-hydroxyphenyl)-1-oxopropan-2-yl]-4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxamide;hydrochloride
InChI	InChI=1S/C38H47Br2N9O5.ClH/c39-29-21-25(22-30(40)34(29)50)23-33(45-37(53)48-15-10-28(11-16-48)49-24-26-5-1-2-6-31(26)44-38(49)54)35(51)43-32(7-3-4-12-41)36(52)47-19-17-46(18-20-47)27-8-13-42-14-9-27;/h1-2,5-6,8-9,13-14,21-22,28,32-33,50H,3-4,7,10-12,15-20,23-24,41H2,(H,43,51)(H,44,54)(H,45,53);1H/t32-,33+;/m0./s1
InChI Key	GJAWDDNZNYEKMO-XWIRJDCTSA-N
MDL Number	MFCD30738010
Molecular Formula	C38H48Br2ClN9O5
Molecular Weight	906.106
SMILES	Cl.O=C1NC2C=CC=CC=2CN1C1CCN(C(=O)N[C@@H](C(=O)N[C@H](C(=O)N2CCN(C3C=CN=CC=3)CC2)CCCCN)CC2C=C(Br)C(O)=C(Br)C=2)CC1
Synonyms	Olcegepant hydrochloride, Olcegepant (hydrochloride), 586368-06-1, SCHEMBL5665838, HY-10095A, CS-6321, CID9919272, CID 9919272,

Complexity	1250
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Exact Mass	905.181g/mol
Formal Charge	0
Heavy Atom Count	55
Hydrogen Bond Acceptor Count	8
Hydrogen Bond Donor Count	6
Isotope Atom Count	0
Molecular Weight	906.118g/mol
Monoisotopic Mass	903.183g/mol
Rotatable Bond Count	12
Topological Polar Surface Area	177A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

CERTIFICATE OF ANALYSIS

Analysis Data:

Test:

Result:

Conclusion: The above product meets the specifications of Angene.

Analyst:Chase

Date:

Reviewed by:Jessie

Date:

Angene International Limited