AG002MT1

232931-57-6 | 5H-Pyrrolo[2,1-c][1,4]benzodiazepin-5-one, 8,8'-[1,3-propanediylbis(oxy)]bis[1,2,3,11a-tetrahydro-7-methoxy-2-methylene-, (11aS,11'aS)-

AG002MT1

SDS

COA

Price

$0.00

Add to Cart

Buy Now

WARNING This product is not for human or veterinary use.

CAS Number	232931-57-6
Catalog Number	AG002MT1(AGN-PC-0QZN6M)
Chemical Name	5H-Pyrrolo[2,1-c][1,4]benzodiazepin-5-one, 8,8'-[1,3-propanediylbis(oxy)]bis[1,2,3,11a-tetrahydro-7-methoxy-2-methylene-, (11aS,11'aS)-
IUPAC Name	(6aS)-3-[3-[[(6aS)-2-methoxy-8-methylidene-11-oxo-7,9-dihydro-6aH-pyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxy]propoxy]-2-methoxy-8-methylidene-7,9-dihydro-6aH-pyrrolo[2,1-c][1,4]benzodiazepin-11-one
InChI	InChI=1S/C31H32N4O6/c1-18-8-20-14-32-24-12-28(26(38-3)10-22(24)30(36)34(20)16-18)40-6-5-7-41-29-13-25-23(11-27(29)39-4)31(37)35-17-19(2)9-21(35)15-33-25/h10-15,20-21H,1-2,5-9,16-17H2,3-4H3/t20-,21-/m0/s1
InChI Key	RWZVMMQNDHPRQD-SFTDATJTSA-N
MDL Number	MFCD19443671
Molecular Formula	C31H32N4O6
Molecular Weight	556.6090
NSC Number	694501
SMILES	COC1=C(C=C2C(=C1)C(=O)N3CC(=C)C[C@H]3C=N2)OCCCOC4=C(C=C5C(=C4)N=C[C@@H]6CC(=C)CN6C5=O)OC
UNII	KT0ZQ64X1A
Synonyms	1,1'-((propane-1,3-diyl)dioxy)bis(7-methoxy-2-methylidene-1,2,3,10,11,11a-hexahydro-5H-pyrrolo(2,1-c)(1,4)benzodiazepin-5,11-dione), NSC 694501, NSC-694501, NSC694501, SJG 136, SJG-136, SJG136, uglydimer1 cpd, SJG-136, 232931-57-6, SJG 136, UNII-KT0ZQ64X1A, NSC-694501, UP 2001, KT0ZQ64X1A, BN-2629, NSC 694501, SJG136, NSC694501, AC1L95GE, AC1Q4FE1, (6as)-3-[3-[[(6as)-2-methoxy-8-methylene-11-oxo-7,9-dihydro-6ah-pyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxy]propoxy]-2-methoxy-8-methylene-7,9-dihydro-6ah-pyrrolo[2,1-c][1,4]benzodiazepin-11-one, CHEMBL16498, SCHEMBL12020905, DTXSID20177864, BCP20924, ZINC3994495, CS-4593, DB11965, HY-14573, NCI60_033825, (6aS)-3-[3-[[(6aS)-2-methoxy-8-methylidene-11-oxo-7,9-dihydro-6aH-pyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxy]propoxy]-2-methoxy-8-methylidene-7,9-dihydro-6aH-pyrrolo[2,1-c][1,4]benzodiazepin-11-one, 1,1'-((Propane-1,3-diyl)dioxy)bis(7-methoxy-2-methylidene-1,2,3,10,11,11a-hexahydro-5H-pyrrolo(2,1-c)(1,4)benzodiazepin-5,11-dione), 5H-Pyrrolo[2,1-c][1,4]benzodiazepin-5-one, 8,8'-[1,3-propanediylbis(oxy)]bis[1,2,3,11a-tetrahydro-7-methoxy-2-methylene-, (11aS,11'aS)-, 5H-Pyrrolo[2,4]benzodiazepin-5-one, 8,8'-[1,3-propanediylbis(oxy)]bis[1,2,3,11a-tetrahydro- 7-methoxy-2-methylene-, (11aS, 11'aS)-, KST-1A2961, AR-1A6801, CID393111, 23432-62-4,

Complexity	1020
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Exact Mass	556.232g/mol
Formal Charge	0
Heavy Atom Count	41
Hydrogen Bond Acceptor Count	8
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	556.619g/mol
Monoisotopic Mass	556.232g/mol
Rotatable Bond Count	8
Topological Polar Surface Area	102A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.9

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

Lot Number