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Details

Stereochemistry ABSOLUTE
Molecular Formula C38H49N5O5.2ClH
Molecular Weight 728.748
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of MDL-108207DA

SMILES

Cl.Cl.CCOCCN1C(=NC2=C1C=CC=C2)N3CCCN(CC[C@@]4(CCN(C4)C(=O)C5=CC(OC)=C(OC)C(OC)=C5)C6=CC=CC=C6)CC3

InChI

InChIKey=ZYUCSTGXBXRNPG-ZCLNGFLVSA-N
InChI=1S/C38H49N5O5.2ClH/c1-5-48-25-24-43-32-15-10-9-14-31(32)39-37(43)41-19-11-18-40(22-23-41)20-16-38(30-12-7-6-8-13-30)17-21-42(28-38)36(44)29-26-33(45-2)35(47-4)34(27-29)46-3;;/h6-10,12-15,26-27H,5,11,16-25,28H2,1-4H3;2*1H/t38-;;/m0../s1

HIDE SMILES / InChI

Molecular Formula ClH
Molecular Weight 36.461
Charge 0
Count
MOL RATIO 2 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C38H49N5O5
Molecular Weight 655.8262
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
L8LG7Q7HZE
Record Status Validated (UNII)
Record Version