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| Name |
Antipain dihydrochloride |
EINECS | 253-631-0 |
| CAS No. | 37682-72-7 | Density | 1.2423 (rough estimate) |
| PSA | 277.50000 | LogP | 4.25060 |
| Solubility | 50 mg/mL in water | Melting Point |
N/A |
| Formula | C27H46Cl2N10O6 | Boiling Point | 1020.2 °C at 760 mmHg |
| Molecular Weight | 677.62 | Flash Point | 570.8 °C |
| Transport Information | N/A | Appearance | White to off-white powder. |
| Safety | 22-24/25 | Risk Codes | N/A |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
L-Valinamide,N2-[[[(1S)-1-carboxy-2-phenylethyl]amino]carbonyl]-L-arginyl-N-[4-[(aminoiminomethyl)amino]-1-formylbutyl]-,dihydrochloride (9CI); |
Antipain dihydrochloride Chemical Properties
Molecular Formula: C27H46Cl2N10O6
Molar mass: 677.6235 g/mol
EINECS: 253-631-0
Storage temp: -20°C
Solubility: H2O: 50 mg/mL
Structure of Antipain dihydrochloride (37682-72-7):
IUPAC Name: 2-[[(2S)-5-(diaminomethylideneamino)-1-[[(2S)-2-[[5-
(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-3-methylbutanoyl]
amino]-1-oxopentan-2-yl]carbamoylamino]-3-phenylpropanoic acid
dihydrochloride
H-Bond Donor: 11
H-Bond Acceptor: 13
Canonical SMILES: CC(C)C(C(=O)NC(=O)C(CCCN=C(N)N)NC(=O)NC(CC1=CC=CC=C1)C(=O)O)NC(CCCN=C(N)N)C=O.Cl.Cl
Isomeric SMILES: CC(C)[C@@H](C(=O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)NC(CC1=CC=CC=C1)C(=O)O)NC(CCCN=C(N)N)C=O.Cl.Cl
InChI: InChI=1S/C27H44N10O6.2ClH/c1-16(2)21(34-18(15-38)10-6-12-32-25(28)29)23(40)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;;/h3-5,8-9,15-16,18-21,34H,6-7,10-14H2,1-2H3,(H,41,42)(H4,28,29,
32)(H4,30,31,33)(H2,35,36,43)(H,37,39,40);2*1H/t18?,19-,20?,21-;;/m0../s1
InChIKey: GXQPAKIVOCLCHD-BXLPLHKWSA-N
Antipain dihydrochloride Toxicity Data With Reference
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD | intraperitoneal | > 1gm/kg (1000mg/kg) | Journal of Antibiotics. Vol. 25, Pg. 263, 1972. | |
| mouse | LDLo | intravenous | 250mg/kg (250mg/kg) | Journal of Antibiotics. Vol. 25, Pg. 263, 1972. |
Antipain dihydrochloride Safety Profile
Safety Statements:
22: Do not breathe dust
24: Avoid contact with skin
25: Avoid contact with eyes
Antipain dihydrochloride Specification
Antipain dihydrochloride (37682-72-7) also can be called for L-Valinamide, N(sup 2)-(((1-carboxy-2-phenylethyl)amino)carbonyl)-L-arginyl-N-(4-((aminoiminomethyl)amino)-1-formylbutyl)-, dihydrochloride .
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