ANTIPAIN HYDROCHLORIDE DIHYDRATE

CAS No.
37691-11-5
CCD No.
CCD00454062
Formula
C27 H44 N10 O6 . Cl H . 2 H2 O
MolWeight
677.199

Basic Information

Product Name: ANTIPAIN HYDROCHLORIDE DIHYDRATE
CAS: 37691-11-5
English Synonyms: ANTIPAIN HYDROCHLORIDE DIHYDRATE
MDL Number.: MFCD04119720
H bond acceptor: 16
H bond donor: 11
Smile: CC(C)[C@@H](C(=O)NC(CCCNC(=N)N)C=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)NC(Cc1ccccc1)C(=O)O.O.O.Cl
InChi: InChI=1S/C27H44N10O6.ClH.2H2O/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);1H;2*1H2/t18?,19-,20?,21-;;;/m0.../s1
InChiKey: InChIKey=YFOZQIWRPVVAGR-BHKXPPHZSA-N

Property

Comments: SPECIFIC ROTATION: -10 +/- 1 DEG (C=1 IN H2O, 20 DEG C)
Specification: BIOCHEMICALS GRADE
Information: FROM MICROBIAL SOURCE

Safety information

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