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Details

Stereochemistry ABSOLUTE
Molecular Formula C27H44N10O6.2ClH
Molecular Weight 677.624
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ANTIPAIN DIHYDROCHLORIDE

SMILES

Cl.Cl.CC(C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)N[C@@H](CC1=CC=CC=C1)C(O)=O)C(=O)N[C@@H](CCCNC(N)=N)C=O

InChI

InChIKey=YAHXZYICKJUJEO-AMJVMXDGSA-N
InChI=1S/C27H44N10O6.2ClH/c1-16(2)21(23(40)34-18(15-38)10-6-12-32-25(28)29)37-22(39)19(11-7-13-33-26(30)31)35-27(43)36-20(24(41)42)14-17-8-4-3-5-9-17;;/h3-5,8-9,15-16,18-21H,6-7,10-14H2,1-2H3,(H,34,40)(H,37,39)(H,41,42)(H4,28,29,32)(H4,30,31,33)(H2,35,36,43);2*1H/t18-,19-,20-,21-;;/m0../s1

HIDE SMILES / InChI

Molecular Formula C27H44N10O6
Molecular Weight 604.7017
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 4 / 4
E/Z Centers 0
Optical Activity UNSPECIFIED

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

Approval Year

Targets

Primary TargetPharmacologyConditionPotency

PubMed

Substance Class Chemical
Record UNII
GWZ8LOU6OG
Record Status Validated (UNII)
Record Version